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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thrombin' and Monomerid = 50093163   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))		BDBM50093163
PNG
(CHEMBL306258 | Derivative of piperazine-1-carboxyl...)
Show SMILES NC(N)=Nc1ccc(CNC(=O)N2CCN(CC2)C(=O)O[C@@H]2CCC[C@@H](CCC2)OC(=O)N2CCN(CC2)C(=O)CCSc2ccncc2)cc1
Show InChI InChI=1S/C35H49N9O6S/c36-32(37)40-27-9-7-26(8-10-27)25-39-33(46)42-18-22-44(23-19-42)35(48)50-29-5-1-3-28(4-2-6-29)49-34(47)43-20-16-41(17-21-43)31(45)13-24-51-30-11-14-38-15-12-30/h7-12,14-15,28-29H,1-6,13,16-25H2,(H,39,46)(H4,36,37,40)/t28-,29+
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Article
PubMed
 7.41E+5n/an/an/an/an/an/an/an/a



Axys Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory potency against thrombin

Bioorg Med Chem Lett 10: 2361-6 (2001)


Article DOI: 10.1016/s0960-894x(00)00485-6
BindingDB Entry DOI: 10.7270/Q2HX1BWR
More data for this
Ligand-Target Pair