BDBM50436931 CHEMBL2402267

SMILES: CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=PHZXEFQHQGATEP-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 = 50436931   

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))	BDBM50436931 (CHEMBL2402267) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O5S/c1-2-29-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-30(27,28)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	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))	BDBM50436931 (CHEMBL2402267) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O5S/c1-2-29-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-30(27,28)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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))	BDBM50436931 (CHEMBL2402267) Show SMILES CCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccccc2)c(Cl)c1 Show InChI InChI=1S/C19H21ClN4O5S/c1-2-29-18(25)14-12-16(20)17(21-13-14)23-8-10-24(11-9-23)19(26)22-30(27,28)15-6-4-3-5-7-15/h3-7,12-13H,2,8-11H2,1H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	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