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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prothrombin' and Ligand = 'BDBM50144531'   
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))		BDBM50144531
PNG
(4-((2S,3R)-2-Carboxy-4-oxo-3-piperidin-4-ylmethyl-...)
Show SMILES CC(C)C(OC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CC2CCNCC2)C1=O)C(O)=O)C(C)C
Show InChI InChI=1S/C23H38N4O6/c1-14(2)19(15(3)4)33-23(32)26-11-9-25(10-12-26)22(31)27-18(21(29)30)17(20(27)28)13-16-5-7-24-8-6-16/h14-19,24H,5-13H2,1-4H3,(H,29,30)/t17-,18+/m1/s1
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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



The Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against Thrombin was determined

Bioorg Med Chem Lett 14: 2227-31 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.011
BindingDB Entry DOI: 10.7270/Q2GM86Q3
More data for this
Ligand-Target Pair