BDBM50017123 CHEMBL3287046

SMILES: CC(C)(C)CN1CCC2(CN(c3cc(O)ccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1

InChI Key: InChIKey=YIEZRRRVKWCLFU-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50017123   

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 P2Y1 (Homo sapiens (Human))	BDBM50017123 (CHEMBL3287046) Show SMILES CC(C)(C)CN1CCC2(CN(c3cc(O)ccc23)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-16-14-30(15-17-37)20-38(27-18-22(39)10-13-24(27)30)26-7-5-4-6-25(26)36-28(40)35-21-8-11-23(12-9-21)41-31(32,33)34/h4-13,18,39H,14-17,19-20H2,1-3H3,(H2,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in human platelets by FLIPR assay in presence of 2-methylthio-ADP				Bioorg Med Chem Lett 24: 1294-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.066 BindingDB Entry DOI: 10.7270/Q20G3MQF
					More data for this Ligand-Target Pair