BDBM50345290 CHEMBL1782537::Ethyl 6-[4-(anilinocarbonyl)piperazin-1-yl]-5-bromonicotinate

SMILES: CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(Br)c1

InChI Key: InChIKey=GRZXLXQVIXOIEI-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 = 50345290   

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))	BDBM50345290 (CHEMBL1782537 | Ethyl 6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(Br)c1 Show InChI InChI=1S/C19H21BrN4O3/c1-2-27-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	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))	BDBM50345290 (CHEMBL1782537 | Ethyl 6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(Br)c1 Show InChI InChI=1S/C19H21BrN4O3/c1-2-27-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	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