Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 12' and Ligand = 'BDBM50345288'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345288 (CHEMBL1782535 | Ethyl-6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)C#N Show InChI InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-AZ11931285 from P2Y12 receptor (unknown origin) after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345288 (CHEMBL1782535 | Ethyl-6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)C#N Show InChI InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345288 (CHEMBL1782535 | Ethyl-6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)C#N Show InChI InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+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
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50345288 (CHEMBL1782535 | Ethyl-6-[4-(anilinocarbonyl)pipera...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2)c(c1)C#N Show InChI InChI=1S/C20H21N5O3/c1-2-28-19(26)16-12-15(13-21)18(22-14-16)24-8-10-25(11-9-24)20(27)23-17-6-4-3-5-7-17/h3-7,12,14H,2,8-11H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) assessed as inhibition of GTPgammaS binding after 1 hr by scintillation counting analysis				Eur J Med Chem 65: 360-75 (2013) Article DOI: 10.1016/j.ejmech.2013.04.007 BindingDB Entry DOI: 10.7270/Q2PK0HJ2
					More data for this Ligand-Target Pair