BDBM50125446 1-[1-(4-Diethylamino-phenyl)-2-pyrrolidin-1-yl-ethyl]-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one::CHEMBL277834

SMILES: CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O

InChI Key: InChIKey=XPGJLLTWODTDLV-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 = 50125446   

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))	BDBM50125446 (1-[1-(4-Diethylamino-phenyl)-2-pyrrolidin-1-yl-eth...) Show SMILES CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C28H32F3N3O/c1-3-33(4-2)24-15-11-22(12-16-24)26(20-32-17-5-6-18-32)34-19-7-8-25(27(34)35)21-9-13-23(14-10-21)28(29,30)31/h7-16,19,26H,3-6,17-18,20H2,1-2H3	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50125446 (1-[1-(4-Diethylamino-phenyl)-2-pyrrolidin-1-yl-eth...) Show SMILES CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C28H32F3N3O/c1-3-33(4-2)24-15-11-22(12-16-24)26(20-32-17-5-6-18-32)34-19-7-8-25(27(34)35)21-9-13-23(14-10-21)28(29,30)31/h7-16,19,26H,3-6,17-18,20H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.08E+3	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50125446 (1-[1-(4-Diethylamino-phenyl)-2-pyrrolidin-1-yl-eth...) Show SMILES CCN(CC)c1ccc(cc1)C(CN1CCCC1)n1cccc(-c2ccc(cc2)C(F)(F)F)c1=O Show InChI InChI=1S/C28H32F3N3O/c1-3-33(4-2)24-15-11-22(12-16-24)26(20-32-17-5-6-18-32)34-19-7-8-25(27(34)35)21-9-13-23(14-10-21)28(29,30)31/h7-16,19,26H,3-6,17-18,20H2,1-2H3	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	>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]-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