BDBM50345315 CHEMBL1784201::Ethyl 5-chloro-6-(4-{[(2-methylphenyl)amino]carbonyl}piperazin-1-yl)nicotinate

SMILES: CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1

InChI Key: InChIKey=LXWCTCKZHLLLOZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50345315   

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))	BDBM50345315 (CHEMBL1784201 | Ethyl 5-chloro-6-(4-{[(2-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50345315 (CHEMBL1784201 | Ethyl 5-chloro-6-(4-{[(2-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(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	1.40E+3	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
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50345315 (CHEMBL1784201 | Ethyl 5-chloro-6-(4-{[(2-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(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	1.40E+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))	BDBM50345315 (CHEMBL1784201 | Ethyl 5-chloro-6-(4-{[(2-methylphe...) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)Nc2ccccc2C)c(Cl)c1 Show InChI InChI=1S/C20H23ClN4O3/c1-3-28-19(26)15-12-16(21)18(22-13-15)24-8-10-25(11-9-24)20(27)23-17-7-5-4-6-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(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