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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50072739'   
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))		BDBM50072739
PNG
((6S,8aS)-4-Oxo-2-(3-phenyl-propionyl)-octahydro-py...)
Show SMILES NC(=N)N1CCCC(C[C@@H](NC(=O)[C@@H]2CC[C@H]3CN(CC(=O)N23)C(=O)CCc2ccccc2)C(=O)c2nccs2)C1
Show InChI InChI=1S/C29H37N7O4S/c30-29(31)34-13-4-7-20(16-34)15-22(26(39)28-32-12-14-41-28)33-27(40)23-10-9-21-17-35(18-25(38)36(21)23)24(37)11-8-19-5-2-1-3-6-19/h1-3,5-6,12,14,20-23H,4,7-11,13,15-18H2,(H3,30,31)(H,33,40)/t20?,21-,22+,23-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 137n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against thrombin(FIIa)

Bioorg Med Chem Lett 8: 3409-14 (1999)


BindingDB Entry DOI: 10.7270/Q27943VV
More data for this
Ligand-Target Pair