BDBM50125461 6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridin-1-yl]-2-pyrrolidin-1-yl-ethyl}-4H-benzo[1,4]oxazin-3-one::CHEMBL15462

SMILES: FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O

InChI Key: InChIKey=UNJYQCNNMVPFQL-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 = 50125461   

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))	BDBM50125461 (6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridi...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O Show InChI InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-5-17(6-9-19)20-4-3-13-32(25(20)34)22(15-31-11-1-2-12-31)18-7-10-23-21(14-18)30-24(33)16-35-23/h3-10,13-14,22H,1-2,11-12,15-16H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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))	BDBM50125461 (6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridi...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O Show InChI InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-5-17(6-9-19)20-4-3-13-32(25(20)34)22(15-31-11-1-2-12-31)18-7-10-23-21(14-18)30-24(33)16-35-23/h3-10,13-14,22H,1-2,11-12,15-16H2,(H,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	57	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))	BDBM50125461 (6-{1-[2-Oxo-3-(4-trifluoromethyl-phenyl)-2H-pyridi...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccc3OCC(=O)Nc3c2)c1=O Show InChI InChI=1S/C26H24F3N3O3/c27-26(28,29)19-8-5-17(6-9-19)20-4-3-13-32(25(20)34)22(15-31-11-1-2-12-31)18-7-10-23-21(14-18)30-24(33)16-35-23/h3-10,13-14,22H,1-2,11-12,15-16H2,(H,30,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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