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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50130296   
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))		BDBM50130296
PNG
(CHEMBL3632876)
Show SMILES [H][C@]12C3CCCN3[C@@H](c3ccc(cc3)C(N)=N)[C@@]1([H])C(=O)N(Cc1ccc(OC)cc1)[C@@H]2C(C)C |r|
Show InChI InChI=1S/C27H34N4O2/c1-16(2)24-22-21-5-4-14-30(21)25(18-8-10-19(11-9-18)26(28)29)23(22)27(32)31(24)15-17-6-12-20(33-3)13-7-17/h6-13,16,21-25H,4-5,14-15H2,1-3H3,(H3,28,29)/t21?,22-,23-,24+,25-/m0/s1
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Article
PubMed
 15n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Thrombin using S-2238 as substrate assessed as release of p-nitroaniline preincubated for 240 secs followed by substrate addition...

J Med Chem 58: 8315-59 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00258
BindingDB Entry DOI: 10.7270/Q22J6DPZ
More data for this
Ligand-Target Pair