BDBM50444488 CHEMBL3092613

SMILES: CC(C)(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=MZGSBTMNRARQLF-UHFFFAOYSA-N

Data: 1 KI

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 = 50444488   

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))	BDBM50444488 (CHEMBL3092613) Show SMILES CC(C)(C)CN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N4O3/c1-26(2,3)17-34-15-13-21-18(16-34)6-4-8-23(21)36-24-22(7-5-14-31-24)33-25(35)32-19-9-11-20(12-10-19)37-27(28,29)30/h4-12,14H,13,15-17H2,1-3H3,(H2,32,33,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method				Bioorg Med Chem Lett 23: 6825-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.009 BindingDB Entry DOI: 10.7270/Q2TQ630T
					More data for this Ligand-Target Pair