BDBM50108448 1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one::CHEMBL280037

SMILES: FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O

InChI Key: InChIKey=FEBHFORUGPWOLH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50108448   

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))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	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 Mölndal Curated by ChEMBL					Assay Description Binding affinity towards delta opioid receptor by the displacement of [125I]-Deltorphin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	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))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	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	2.72E+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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	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	2.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards mu opioid receptor by the displacement of [125I]-Enkephalin				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50108448 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-(4-trifluor...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H23F3N2O/c25-24(26,27)20-12-10-18(11-13-20)21-9-6-16-29(23(21)30)22(17-28-14-4-5-15-28)19-7-2-1-3-8-19/h1-3,6-13,16,22H,4-5,14-15,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Binding affinity towards kappa opioid receptor by the displacement of [125I]-(D-Pro10)-Dynorphin A				Bioorg Med Chem Lett 12: 197-200 (2001) BindingDB Entry DOI: 10.7270/Q28051XH
					More data for this Ligand-Target Pair