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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50054485'   
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))		BDBM50054485
PNG
(CHEMBL342604 | N-[(S)-1-((R)-1-Carbamimidoyl-piper...)
Show SMILES NC(=N)N1CCC[C@H](C[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)C=O)C1
Show InChI InChI=1S/C23H34N6O5S/c24-23(25)29-11-4-8-18(13-29)12-19(15-30)26-21(31)14-28-10-5-9-20(22(28)32)27-35(33,34)16-17-6-2-1-3-7-17/h1-3,6-7,15,18-20,27H,4-5,8-14,16H2,(H3,24,25)(H,26,31)/t18-,19+,20+/m1/s1
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PC sid
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Similars
Article
PubMed
n/an/a 28.8n/an/an/an/an/an/a



Corvas International Inc.

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of amidolytic activity for chromogenic substrate thrombin F11a.

J Med Chem 39: 4527-30 (1996)


Article DOI: 10.1021/jm960607j
BindingDB Entry DOI: 10.7270/Q2CR5SFV
More data for this
Ligand-Target Pair