BDBM50167272 CHEMBL3798029

SMILES: CCc1cnc(o1)-c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1

InChI Key: InChIKey=DQLKCWKKVZXRJB-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 = 50167272   

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))	BDBM50167272 (CHEMBL3798029) Show SMILES CCc1cnc(o1)-c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Galecto Biotech Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor (unknown origin) by GTPgammaS binding assay				Bioorg Med Chem Lett 26: 2739-2754 (2016) Article DOI: 10.1016/j.bmcl.2016.04.030 BindingDB Entry DOI: 10.7270/Q2FF3V86
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50167272 (CHEMBL3798029) Show SMILES CCc1cnc(o1)-c1cc(C#N)c(nc1C)N1CC(C1)C(=O)NS(=O)(=O)c1ccc(Cl)s1 Show InChI InChI=1S/C20H18ClN5O4S2/c1-3-14-8-23-20(30-14)15-6-12(7-22)18(24-11(15)2)26-9-13(10-26)19(27)25-32(28,29)17-5-4-16(21)31-17/h4-6,8,13H,3,9-10H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Galecto Biotech Curated by ChEMBL					Assay Description Binding affinity to P2Y12 receptor (unknown origin)				Bioorg Med Chem Lett 26: 2739-2754 (2016) Article DOI: 10.1016/j.bmcl.2016.04.030 BindingDB Entry DOI: 10.7270/Q2FF3V86
					More data for this Ligand-Target Pair