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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50089113'   
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))		BDBM50089113
PNG
(CHEMBL280186 | N-{[(S)-5-Amino-1-(3-amino-phenylam...)
Show SMILES CN(CC(=O)N[C@@H](CCCCN)C(=O)C(=O)Nc1cccc(N)c1)C(=O)c1ccccc1Sc1ccccc1C#N
Show InChI InChI=1S/C30H32N6O4S/c1-36(30(40)23-12-3-5-15-26(23)41-25-14-4-2-9-20(25)18-32)19-27(37)35-24(13-6-7-16-31)28(38)29(39)34-22-11-8-10-21(33)17-22/h2-5,8-12,14-15,17,24H,6-7,13,16,19,31,33H2,1H3,(H,34,39)(H,35,37)/t24-/m0/s1
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PC sid
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Similars
PubMed
 120n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Binding affinity for human thrombin

Bioorg Med Chem Lett 10: 1253-6 (2000)


BindingDB Entry DOI: 10.7270/Q22J6B3H
More data for this
Ligand-Target Pair