null

SMILES: CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12

InChI Key: InChIKey=UEYBLYWXOJIQPE-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50100191   

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
P2Y purinoceptor 12 (Rattus norvegicus)	BDBM50100191 (CHEMBL3325807) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12 Show InChI InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50100191 (CHEMBL3325807) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)Nc2ccc(cc2)-n2ncc(C(C)=O)c2C)c2cc(Cl)ccc12 Show InChI InChI=1S/C28H29ClN6O3/c1-18-24(19(2)36)15-30-35(18)22-7-5-21(6-8-22)31-28(38)25-16-34(26-9-4-20(29)14-23(25)26)17-27(37)33-12-10-32(3)11-13-33/h4-9,14-16H,10-13,17H2,1-3H3,(H,31,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi R&D Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor in Sprague-Dawley rat platelet rich plasma assessed as inhibition of ADP-induced aggregation				J Med Chem 57: 7293-316 (2014) Article DOI: 10.1021/jm500588w BindingDB Entry DOI: 10.7270/Q2D79D21
					More data for this Ligand-Target Pair