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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50054496'   
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))		BDBM50054496
PNG
((R)-N-((S)-3-Carbamimidoyl-2-hydroxy-cyclohexyl)-2...)
Show SMILES C[C@@H](N1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)N[C@H]1CCCC(C1O)C(N)=N
Show InChI InChI=1S/C23H35N5O5S/c1-15(22(30)26-18-12-7-10-17(20(18)29)21(24)25)28-13-6-5-11-19(23(28)31)27-34(32,33)14-16-8-3-2-4-9-16/h2-4,8-9,15,17-20,27,29H,5-7,10-14H2,1H3,(H3,24,25)(H,26,30)/t15-,17?,18+,19+,20?/m1/s1
PDB

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>2.50E+3n/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