BDBM50445202 CHEMBL3103627

SMILES: CC1(C)CCN(c2ccccc12)c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1

InChI Key: InChIKey=WFBIIKCFAHENBM-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 = 50445202   

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))	BDBM50445202 (CHEMBL3103627) Show SMILES CC1(C)CCN(c2ccccc12)c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H23F3N4O2/c1-23(2)13-15-31(20-8-4-3-6-18(20)23)21-19(7-5-14-28-21)30-22(32)29-16-9-11-17(12-10-16)33-24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
Purinergic receptor P2Y1 (Homo sapiens (Human))	BDBM50445202 (CHEMBL3103627) Show SMILES CC1(C)CCN(c2ccccc12)c1ncccc1NC(=O)Nc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C24H23F3N4O2/c1-23(2)13-15-31(20-8-4-3-6-18(20)23)21-19(7-5-14-28-21)30-22(32)29-16-9-11-17(12-10-16)33-24(25,26)27/h3-12,14H,13,15H2,1-2H3,(H2,29,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+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