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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50054491'   
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))		BDBM50054491
PNG
(2-((S)-3-Benzenesulfonylamino-2-oxo-piperidin-1-yl...)
Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)C1O
Show InChI InChI=1S/C20H29N5O5S/c21-19(22)14-8-4-9-15(18(14)27)23-17(26)12-25-11-5-10-16(20(25)28)24-31(29,30)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,24,27H,4-5,8-12H2,(H3,21,22)(H,23,26)/t14?,15-,16-,18?/m0/s1
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Article
PubMed
n/an/a 159n/an/an/an/an/an/a



Corvas International, Inc.

Curated by ChEMBL


Assay Description
In vitro for inhibition of serine protease thrombin(FIIa).

J Med Chem 39: 4531-6 (1996)


Article DOI: 10.1021/jm960572n
BindingDB Entry DOI: 10.7270/Q28051QT
More data for this
Ligand-Target Pair