BDBM50444475 CHEMBL3092615

SMILES: CCCN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=KGUGISQSUXCELA-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 = 50444475   

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))	BDBM50444475 (CHEMBL3092615) Show SMILES CCCN1CCc2c(C1)cccc2Oc1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H25F3N4O3/c1-2-14-32-15-12-20-17(16-32)5-3-7-22(20)34-23-21(6-4-13-29-23)31-24(33)30-18-8-10-19(11-9-18)35-25(26,27)28/h3-11,13H,2,12,14-16H2,1H3,(H2,30,31,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	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