BDBM50345306 CHEMBL1784193::Ethyl 6-(4-{[(4-chlorophenyl)amino]carbonyl}piperazin-1-yl)-5-cyano-2-(trifluoro-methyl)nicotinate

SMILES: CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1

InChI Key: InChIKey=IJMCFIRGRAKECE-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 = 50345306   

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))	BDBM50345306 (CHEMBL1784193 | Ethyl 6-(4-{[(4-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-11-13(12-26)18(28-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)27-15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	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))	BDBM50345306 (CHEMBL1784193 | Ethyl 6-(4-{[(4-chlorophenyl)amino...) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C(F)(F)F)N1CCN(CC1)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C21H19ClF3N5O3/c1-2-33-19(31)16-11-13(12-26)18(28-17(16)21(23,24)25)29-7-9-30(10-8-29)20(32)27-15-5-3-14(22)4-6-15/h3-6,11H,2,7-10H2,1H3,(H,27,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	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