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BDBM32391 iso-butyl-substituted sulfonamide, 9b

SMILES: CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=BMXYVKCLBAGXOY-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 2 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 6 hits for monomerid = 32391   
Target/Host
(Institution)
LigandTarget/Host
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
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Article
PubMed
900 -8.19n/an/an/an/an/a5.523



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair
Pepsin A


(Porcine)
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
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KEGG

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Article
PubMed
4.80E+3n/an/an/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair
Plasmepsin 2


(Plasmodium falciparum)
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
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Article
PubMed
6.80E+3 -7.00n/an/an/an/an/a4.523



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair
Plasmepsin IV


(Plasmodium falciparum)
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
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Article
PubMed
5.60E+4n/an/an/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair
beta-Secretase (BACE-1)


(Homo sapiens (human))
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
PDB
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KEGG

B.MOAD
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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM32391
PNG
(iso-butyl-substituted sulfonamide, 9b)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccc(N)cc1)S(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C24H39N5O4S2/c1-19(2)17-28(34(30,31)23-9-5-21(25)6-10-23)15-13-27-14-16-29(18-20(3)4)35(32,33)24-11-7-22(26)8-12-24/h5-12,19-20,27H,13-18,25-26H2,1-4H3
PDB
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Reactome pathway
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KEGG

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UniChem

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Article
PubMed
n/an/a>2.50E+5n/an/an/an/an/an/a



Philipps-University Marburg



Assay Description
Enzyme assay was performed at room temperature on a microplate reader (Safire2TM) using black 96-well microtiter plates purchased from Nunc. Inhibito...


Bioorg Med Chem 16: 8574-86 (2008)

More data for this
Ligand-Target Pair