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BDBM50235524 CHEMBL540635::N-((6-aminopyridin-3-yl)methyl)-2-(1-(4-(2,5-dimethylthiophen-3-yl)phenylsulfonamido)-4-methyl-2-oxo-1,2-dihydropyridin-3-yl)acetamide hydrochloride

SMILES: Cc1cc(c(C)s1)-c1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(N)nc2)c1=O

InChI Key: InChIKey=IMIMONQBQNRUDE-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50235524   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50235524
PNG
(CHEMBL540635 | N-((6-aminopyridin-3-yl)methyl)-2-(...)
Show SMILES Cc1cc(c(C)s1)-c1ccc(cc1)S(=O)(=O)Nn1ccc(C)c(CC(=O)NCc2ccc(N)nc2)c1=O
Show InChI InChI=1S/C26H27N5O4S2/c1-16-10-11-31(26(33)22(16)13-25(32)29-15-19-4-9-24(27)28-14-19)30-37(34,35)21-7-5-20(6-8-21)23-12-17(2)36-18(23)3/h4-12,14,30H,13,15H2,1-3H3,(H2,27,28)(H,29,32)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>4.44E+4n/an/an/an/an/an/a



Universit£ de Montr£al

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 18: 1972-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.122
BindingDB Entry DOI: 10.7270/Q2833SV0
More data for this
Ligand-Target Pair