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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50120232'   
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))		BDBM50120232
PNG
(CHEMBL327093 | Cyclohexyl-{2-[2-(4-guanidino-butyr...)
Show SMILES CC(O)C(NC(=O)C(Cc1ccc(cc1)[N+]([O-])=O)NC(=O)CCC[N-]C(N)=[NH2+])C(=O)NC(C1CCCCC1)C(O)=O
Show InChI InChI=1S/C26H39N7O8/c1-15(34)21(24(37)32-22(25(38)39)17-6-3-2-4-7-17)31-23(36)19(30-20(35)8-5-13-29-26(27)28)14-16-9-11-18(12-10-16)33(40)41/h9-12,15,17,19,21-22,34H,2-8,13-14H2,1H3,(H8,27,28,29,30,31,32,35,36,37,38,39)
PDB

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PC cid
PC sid
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Similars
PubMed
n/an/a 55n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Concentration of the compound required to inhibit Human alpha-thrombin was determined

Bioorg Med Chem Lett 12: 3183-6 (2002)


BindingDB Entry DOI: 10.7270/Q20P0ZBK
More data for this
Ligand-Target Pair