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BDBM32390 iso-butyl-substituted sulfonamide, 9a

SMILES: CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=MWBLVINYKQGTQU-UHFFFAOYSA-N

Data: 4 KI  2 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to 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 = 32390   
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
Pepsin A


(Porcine)
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4.50E+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...


Citation and Details
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

1.00E+4 -6.77n/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...


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


(Plasmodium falciparum)
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

2.30E+4 -6.28n/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...


Citation and Details
More data for this
Ligand-Target Pair
Plasmepsin IV


(Plasmodium falciparum)
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

8.70E+4 -5.50n/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...


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


(Homo sapiens (human))
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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...


Citation and Details
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM32390
PNG
(iso-butyl-substituted sulfonamide, 9a)
Show SMILES CC(C)CN(CCNCCN(CC(C)C)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C24H37N3O4S2/c1-21(2)19-26(32(28,29)23-11-7-5-8-12-23)17-15-25-16-18-27(20-22(3)4)33(30,31)24-13-9-6-10-14-24/h5-14,21-22,25H,15-20H2,1-4H3
PDB
MMDB

Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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...


Citation and Details
More data for this
Ligand-Target Pair