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BDBM50223071 CHEMBL399868::N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2,2-difluoro-2-(4-fluoronaphthalen-1-yl)ethylamino)-2-fluorophenyl)acetamide

SMILES: Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F

InChI Key: InChIKey=GPJIYMVTTVFTEO-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50223071   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prothrombin


(Homo sapiens (Human))		BDBM50223071
PNG
(CHEMBL399868 | N-((6-amino-2-methylpyridin-3-yl)me...)
Show SMILES Cc1nc(N)ccc1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F
Show InChI InChI=1S/C27H23ClF4N4O/c1-15-16(6-11-24(33)36-15)13-34-25(37)12-19-21(28)8-10-23(26(19)30)35-14-27(31,32)20-7-9-22(29)18-5-3-2-4-17(18)20/h2-11,35H,12-14H2,1H3,(H2,33,36)(H,34,37)
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Article
PubMed
 2.80n/an/an/an/an/an/an/an/a



Johnson & Johnson

Curated by ChEMBL


Assay Description
Inhibition of human thrombin after 15 mins by standard chromogenic assay

Bioorg Med Chem Lett 17: 6266-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.013
BindingDB Entry DOI: 10.7270/Q29G5MH9
More data for this
Ligand-Target Pair