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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50075872'   
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))		BDBM50075872
PNG
(4-[(S)-1-(2-Hydroxy-ethoxymethyl)-2-phenyl-ethylam...)
Show SMILES OCCOC[C@H](Cc1ccccc1)Nc1ccncc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCF)CC1
Show InChI InChI=1S/C32H41FN4O5S/c33-15-11-25-13-17-37(18-14-25)32(39)30(22-27-9-5-2-6-10-27)36-43(40,41)31-23-34-16-12-29(31)35-28(24-42-20-19-38)21-26-7-3-1-4-8-26/h1-10,12,16,23,25,28,30,36,38H,11,13-15,17-22,24H2,(H,34,35)/t28-,30-/m0/s1
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Similars
PubMed
 220n/an/an/an/an/an/an/an/a



Novartis Horsham Research Center

Curated by ChEMBL


Assay Description
In vitro inhibtion of human thrombin.

Bioorg Med Chem Lett 9: 737-42 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2N6V
More data for this
Ligand-Target Pair