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BDBM50273229 CHEMBL455916::{(5-Carbamimidoyl-2-hydroxy-benzenesulfonyl)-[2-(4-isopropyl-phenyl)-ethyl]-amino}-acetic acid

SMILES: CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1

InChI Key: InChIKey=RBLXIFLLKCPPHV-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50273229   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50273229
PNG
(CHEMBL455916 | {(5-Carbamimidoyl-2-hydroxy-benzene...)
Show SMILES CC(C)c1ccc(CCN(CC(O)=O)S(=O)(=O)c2cc(ccc2O)C(N)=N)cc1
Show InChI InChI=1S/C20H25N3O5S/c1-13(2)15-5-3-14(4-6-15)9-10-23(12-19(25)26)29(27,28)18-11-16(20(21)22)7-8-17(18)24/h3-8,11,13,24H,9-10,12H2,1-2H3,(H3,21,22)(H,25,26)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
14n/an/an/an/an/an/an/an/a



Kissei Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a by Dixon-plot method


Bioorg Med Chem Lett 18: 4682-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.009
BindingDB Entry DOI: 10.7270/Q208654H
More data for this
Ligand-Target Pair