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BDBM79403 3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;hydrochloride::CHEMBL23194::MLS002472980::N,N''-bis(3-aminopropyl)butane-1,4-diamine;hydrochloride::N,N''-bis(3-azanylpropyl)butane-1,4-diamine;hydrochloride::N,N'-bis(3-aminopropyl)butane-1,4-diamine::SMR001397086::Spermine::cid_5351186::spermidine 3HCl

SMILES: NCCCNCCCCNCCCN

InChI Key: InChIKey=PFNFFQXMRSDOHW-UHFFFAOYSA-N

Data: 19 KI  3 IC50  1 EC50

PDB links: 106 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 79403   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 4


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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10n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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710n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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830n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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840n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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860n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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990n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Glutamate-NMDA


(RAT)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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PubMed
2.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Glutamate delta 2


(Xenopus)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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>1.00E+4n/an/an/an/an/an/an/an/a



State University of New York

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 740-8 (2003)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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1.33E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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1.33E+4n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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2.26E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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2.76E+4n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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2.76E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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7.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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8.40E+4n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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8.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic Anhydrase III


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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1.67E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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2.31E+5n/an/an/an/an/an/an/an/a



University of Calgary

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 19: 1381-9 (2011)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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2.31E+5n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method


J Med Chem 53: 5511-22 (2010)

More data for this
Ligand-Target Pair
Caspase-2


(Homo sapiens (human))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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n/an/an/an/a 8.50E+3n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Activation of procaspase 2 after 24 hrs


J Med Chem 51: 2346-9 (2008)

More data for this
Ligand-Target Pair
Bfl-1


(Mus musculus (Mouse))
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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PCBioAssay
n/an/a>2.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


Citation and Details
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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n/an/a 1.56E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


Citation and Details
More data for this
Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N


(Homo sapiens)
BDBM79403
PNG
(3-aminopropyl-[4-(3-aminopropylamino)butyl]amine;h...)
Show SMILES NCCCNCCCCNCCCN
Show InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
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PCBioAssay
n/an/a 1.43E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...


Citation and Details
More data for this
Ligand-Target Pair