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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50037990'   
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))		BDBM50037990
PNG
(CHEMBL539815 | {Butyl-[(S)-3-[((S)-1-carbamimidoyl...)
Show SMILES CCCCN(CC(=O)OCC)C(=O)[C@H](CC(=O)NC[C@@H]1CCCN(C1)C(N)=N)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C29H42N6O6S/c1-3-5-14-34(20-27(37)41-4-2)28(38)25(17-26(36)32-18-21-9-8-15-35(19-21)29(30)31)33-42(39,40)24-13-12-22-10-6-7-11-23(22)16-24/h6-7,10-13,16,21,25,33H,3-5,8-9,14-15,17-20H2,1-2H3,(H3,30,31)(H,32,36)/t21-,25-/m0/s1
PDB

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PC sid
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Similars
PubMed
 330n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity by measuring the inhibition of human thrombin

J Med Chem 37: 3889-901 (1994)


BindingDB Entry DOI: 10.7270/Q25X29KK
More data for this
Ligand-Target Pair