BDBM50444485 CHEMBL3092620

SMILES: FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(Cc4ccccc4)CCc23)cc1

InChI Key: InChIKey=IJIDVLDTQYWFHT-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 = 50444485   

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))	BDBM50444485 (CHEMBL3092620) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2cccc3CN(Cc4ccccc4)CCc23)cc1 Show InChI InChI=1S/C29H25F3N4O3/c30-29(31,32)39-23-13-11-22(12-14-23)34-28(37)35-25-9-5-16-33-27(25)38-26-10-4-8-21-19-36(17-15-24(21)26)18-20-6-2-1-3-7-20/h1-14,16H,15,17-19H2,(H2,34,35,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	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