BDBM50436950 CHEMBL2402256

SMILES: CCOC(=O)c1cnc(N2CC(C2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=UBLUZXPVNMESOL-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 = 50436950   

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))	BDBM50436950 (CHEMBL2402256) Show SMILES CCOC(=O)c1cnc(N2CC(C2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H19ClN4O5S/c1-2-28-17(24)12-8-15(19)16(20-9-12)23-10-13(11-23)21-18(25)22-29(26,27)14-6-4-3-5-7-14/h3-9,13H,2,10-11H2,1H3,(H2,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	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))	BDBM50436950 (CHEMBL2402256) Show SMILES CCOC(=O)c1cnc(N2CC(C2)NC(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C18H19ClN4O5S/c1-2-28-17(24)12-8-15(19)16(20-9-12)23-10-13(11-23)21-18(25)22-29(26,27)14-6-4-3-5-7-14/h3-9,13H,2,10-11H2,1H3,(H2,21,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	430	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