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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50072842'   
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


(Bos taurus (Bovine))		BDBM50072842
PNG
(CHEMBL348266 | N-[1-(3-Diaminomethyl-benzyl)-2-oxo...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(Cc1cccc(c1)C(N)N)C(=O)N1CCCCC1
Show InChI InChI=1S/C22H30N4O3S/c1-16-8-10-19(11-9-16)30(28,29)25-20(22(27)26-12-3-2-4-13-26)15-17-6-5-7-18(14-17)21(23)24/h5-11,14,20-21,25H,2-4,12-13,15,23-24H2,1H3
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PC sid
UniChem

Similars
Article
PubMed
 340n/an/an/an/an/an/an/an/a



Institut für Biochemie

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine thrombin expressed as dissociation constant

J Med Chem 41: 5445-56 (1999)


Article DOI: 10.1021/jm981068g
BindingDB Entry DOI: 10.7270/Q2KK99ZF
More data for this
Ligand-Target Pair