BDBM50436968 CHEMBL2402148

SMILES: CCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1

InChI Key: InChIKey=XISVCAGCODBBBH-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 = 50436968   

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))	BDBM50436968 (CHEMBL2402148) Show SMILES CCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-2-9-29-17(25)12-10-13(19)16(21-11-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,10-11H,2,5-9H2,1H3,(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	210	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))	BDBM50436968 (CHEMBL2402148) Show SMILES CCCOC(=O)c1cnc(N2CCN(CC2)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c(Cl)c1 Show InChI InChI=1S/C18H20Cl2N4O5S2/c1-2-9-29-17(25)12-10-13(19)16(21-11-12)23-5-7-24(8-6-23)18(26)22-31(27,28)15-4-3-14(20)30-15/h3-4,10-11H,2,5-9H2,1H3,(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	240	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