BDBM50439284 CHEMBL2419488

SMILES: CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1

InChI Key: InChIKey=IQWIOJAQGQOGMO-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 = 50439284   

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))	BDBM50439284 (CHEMBL2419488) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1 Show InChI InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,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	230	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) expressed in CHO cell membrane after 1 hr by scintillation counting analysis				J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50439284 (CHEMBL2419488) Show SMILES CCOC(=O)c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)Cc1ccc(CO)cc1 Show InChI InChI=1S/C22H24N4O6S/c1-3-32-22(29)19-8-17(9-23)20(24-14(19)2)26-10-18(11-26)21(28)25-33(30,31)13-16-6-4-15(12-27)5-7-16/h4-8,18,27H,3,10-13H2,1-2H3,(H,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	730	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) expressed in CHO cell membrane by [35S]GTPgammaS binding assay				J Med Chem 56: 7015-24 (2013) Article DOI: 10.1021/jm400820m BindingDB Entry DOI: 10.7270/Q29K4CNV
					More data for this Ligand-Target Pair