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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50041221'   
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))		BDBM50041221
PNG
(3-(7-Carbamimidoyl-naphthalen-2-yl)-2-[4-((S)-pyrr...)
Show SMILES NC(=N)c1ccc2ccc(CC(C(O)=O)c3ccc(O[C@H]4CCNC4)cc3)cc2c1
Show InChI InChI=1S/C24H25N3O3/c25-23(26)18-4-3-16-2-1-15(11-19(16)13-18)12-22(24(28)29)17-5-7-20(8-6-17)30-21-9-10-27-14-21/h1-8,11,13,21-22,27H,9-10,12,14H2,(H3,25,26)(H,28,29)/t21-,22?/m0/s1
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PC sid
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PubMed
n/an/a>1.60E+6n/an/an/an/an/an/a



Daiichi Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro evaluation for the concentration needed for inhibiting thrombin by 50%

J Med Chem 37: 1200-7 (1994)


BindingDB Entry DOI: 10.7270/Q2FF3RF6
More data for this
Ligand-Target Pair