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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50041230'   
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))		BDBM50041230
PNG
(2-(5-Carbamimidoyl-benzofuran-2-yl)-3-[4-((S)-pyrr...)
Show SMILES CCOC(=O)C(Cc1ccc(O[C@H]2CCNC2)cc1)c1cc2cc(ccc2o1)C(N)=N
Show InChI InChI=1S/C24H27N3O4/c1-2-29-24(28)20(22-13-17-12-16(23(25)26)5-8-21(17)31-22)11-15-3-6-18(7-4-15)30-19-9-10-27-14-19/h3-8,12-13,19-20,27H,2,9-11,14H2,1H3,(H3,25,26)/t19-,20?/m0/s1
PDB

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antibodypedia
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PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.00E+4n/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