BDBM50345312 CHEMBL1784198::Ethyl 5-cyano-6-{4-[(2-naphthylamino)carbonyl]piperazin-1-yl}-2-(trifluoromethyl)-nicotinate

SMILES: CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1

InChI Key: InChIKey=YLHXUNCMWADQFJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50345312   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50345312 (CHEMBL1784198 | Ethyl 5-cyano-6-{4-[(2-naphthylami...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from human recombinant P2Y12 receptor expressed in platelet cell membrane after 1 hr by scintillation counting				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50345312 (CHEMBL1784198 | Ethyl 5-cyano-6-{4-[(2-naphthylami...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C25H22F3N5O3/c1-2-36-23(34)20-14-18(15-29)22(31-21(20)25(26,27)28)32-9-11-33(12-10-32)24(35)30-19-8-7-16-5-3-4-6-17(16)13-19/h3-8,13-14H,2,9-12H2,1H3,(H,30,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Antagonist activity at human recombinant P2Y12 receptor expressed in platelet cell membrane by [35S]GTPgammaS binding assay				Bioorg Med Chem Lett 21: 2877-81 (2011) Article DOI: 10.1016/j.bmcl.2011.03.088 BindingDB Entry DOI: 10.7270/Q2TX3FQ9
					More data for this Ligand-Target Pair