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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50235524'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(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

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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