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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50075932'   
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))		BDBM50075932
PNG
(2-(1,1-Dioxo-1lambda*6*-thiomorpholin-4-yl)-N-{4-[...)
Show SMILES COc1cc(Cc2c(sc3cc(O)ccc23)-c2ccc(NC(=O)CN3CCS(=O)(=O)CC3)cc2)ccc1CN1CCCC1
Show InChI InChI=1S/C33H37N3O5S2/c1-41-30-19-23(4-5-25(30)21-35-12-2-3-13-35)18-29-28-11-10-27(37)20-31(28)42-33(29)24-6-8-26(9-7-24)34-32(38)22-36-14-16-43(39,40)17-15-36/h4-11,19-20,37H,2-3,12-18,21-22H2,1H3,(H,34,38)
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PubMed
 0.900n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding inhibition against thrombin was measured by nonlinear regression analysis using Morrison's equation for tight-binding inhibition

Bioorg Med Chem Lett 9: 775-80 (1999)


BindingDB Entry DOI: 10.7270/Q2PR7V46
More data for this
Ligand-Target Pair