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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50080919'   
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))		BDBM50080919
PNG
(2-{(R)-2-Benzyl-4-[3-(4-hydroxy-phenyl)-propyl]-3,...)
Show SMILES NC(=N)N1CCCC(C[C@H](NC(=O)CN2[C@H](Cc3ccccc3)C(=O)N(CCCc3ccc(O)cc3)CC2=O)C(=O)c2nccs2)C1
Show InChI InChI=1S/C34H41N7O5S/c35-34(36)40-16-5-9-25(20-40)18-27(31(45)32-37-14-17-47-32)38-29(43)21-41-28(19-24-6-2-1-3-7-24)33(46)39(22-30(41)44)15-4-8-23-10-12-26(42)13-11-23/h1-3,6-7,10-14,17,25,27-28,42H,4-5,8-9,15-16,18-22H2,(H3,35,36)(H,38,43)/t25?,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 240n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound required against thrombin was determined

Bioorg Med Chem Lett 9: 2503-8 (1999)


BindingDB Entry DOI: 10.7270/Q2028QRW
More data for this
Ligand-Target Pair