BDBM50436960 CHEMBL2402260

SMILES: CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1

InChI Key: InChIKey=GFVMYYVRTZJDHI-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50436960   

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))	BDBM50436960 (CHEMBL2402260) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	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))	BDBM50436960 (CHEMBL2402260) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in human washed platelets assessed as inhibition of fibrinogen-induced aggregation				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))	BDBM50436960 (CHEMBL2402260) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CCC(CC1)NC(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H22ClN5O5S2/c1-3-31-19(27)15-10-13(11-22)18(23-12(15)2)26-8-6-14(7-9-26)24-20(28)25-33(29,30)17-5-4-16(21)32-17/h4-5,10,14H,3,6-9H2,1-2H3,(H2,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	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