BDBM50445219 CHEMBL3103629

SMILES: FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCc3ccccc23)cc1

InChI Key: InChIKey=BLHBKMAJQLLUEL-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50445219   

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
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50445219 (CHEMBL3103629) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCc3ccccc23)cc1 Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	37	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 [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50445219 (CHEMBL3103629) Show SMILES FC(F)(F)Oc1ccc(NC(=O)Nc2ccccc2N2CCCc3ccccc23)cc1 Show InChI InChI=1S/C23H20F3N3O2/c24-23(25,26)31-18-13-11-17(12-14-18)27-22(30)28-19-8-2-4-10-21(19)29-15-5-7-16-6-1-3-9-20(16)29/h1-4,6,8-14H,5,7,15H2,(H2,27,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Antagonist activity at P2Y1 receptor in platelet-enriched human plasma assessed as 2.5 uM ADP-induced platelet aggregation preincubated for 1 min fol...				J Med Chem 56: 9275-95 (2013) Article DOI: 10.1021/jm4013906 BindingDB Entry DOI: 10.7270/Q2KW5HHP
					More data for this Ligand-Target Pair