BDBM50125451 1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3-(4-trifluoromethoxy-phenyl)-1H-pyridin-2-one::CHEMBL15498

SMILES: OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1

InChI Key: InChIKey=VQLWORQLQXNPGX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50125451   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50125451 (1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...) Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1 Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-10-8-17(9-11-20)21-7-4-13-29(23(21)31)22(18-5-2-1-3-6-18)16-28-14-12-19(30)15-28/h1-11,13,19,22,30H,12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-Deltorphin binding to human delta opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50125451 (1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...) Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1 Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-10-8-17(9-11-20)21-7-4-13-29(23(21)31)22(18-5-2-1-3-6-18)16-28-14-12-19(30)15-28/h1-11,13,19,22,30H,12,14-16H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-Enkephalin binding to human mu opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50125451 (1-[2-(3-Hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-3...) Show SMILES OC1CCN(CC(c2ccccc2)n2cccc(-c3ccc(OC(F)(F)F)cc3)c2=O)C1 Show InChI InChI=1S/C24H23F3N2O3/c25-24(26,27)32-20-10-8-17(9-11-20)21-7-4-13-29(23(21)31)22(18-5-2-1-3-6-18)16-28-14-12-19(30)15-28/h1-11,13,19,22,30H,12,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Curated by ChEMBL					Assay Description Inhibition of [125I]-(D-Pro10)-Dynorphin A binding to human kappa opioid receptor from membranes of HEK293 cells				Bioorg Med Chem Lett 13: 1141-5 (2003) BindingDB Entry DOI: 10.7270/Q24J0DH2
					More data for this Ligand-Target Pair