BDBM50435813 CHEMBL2393200

SMILES: CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=OCWKHOVJPGNCJF-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 = 50435813   

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))	BDBM50435813 (CHEMBL2393200) Show SMILES CC(C)(C)c1ccccc1Oc1ncccc1Nc1nnc(s1)-c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H21F3N4O2S/c1-23(2,3)17-7-4-5-9-19(17)32-20-18(8-6-14-28-20)29-22-31-30-21(34-22)15-10-12-16(13-11-15)33-24(25,26)27/h4-14H,1-3H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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 expressed in HEK293 cells after 1 hr by scintillation counting analysis				Bioorg Med Chem Lett 23: 3519-22 (2013) Article DOI: 10.1016/j.bmcl.2013.04.041 BindingDB Entry DOI: 10.7270/Q28S4RB4
					More data for this Ligand-Target Pair