BDBM50125445 1-(2-[1,2]Diazepin-1-yl-1-phenyl-ethyl)-3-(4-trifluoromethyl-phenyl)-1H-pyridin-2-one::CHEMBL14967

SMILES: FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O

InChI Key: InChIKey=YITOFYWWKAQJCU-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 = 50125445   

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))	BDBM50125445 (1-(2-[1,2]Diazepin-1-yl-1-phenyl-ethyl)-3-(4-trifl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O |c:19,21,23| Show InChI InChI=1S/C25H20F3N3O/c26-25(27,28)21-13-11-19(12-14-21)22-10-7-17-31(24(22)32)23(20-8-3-1-4-9-20)18-30-16-6-2-5-15-29-30/h1-17,23H,18H2	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50125445 (1-(2-[1,2]Diazepin-1-yl-1-phenyl-ethyl)-3-(4-trifl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O |c:19,21,23| Show InChI InChI=1S/C25H20F3N3O/c26-25(27,28)21-13-11-19(12-14-21)22-10-7-17-31(24(22)32)23(20-8-3-1-4-9-20)18-30-16-6-2-5-15-29-30/h1-17,23H,18H2	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50125445 (1-(2-[1,2]Diazepin-1-yl-1-phenyl-ethyl)-3-(4-trifl...) Show SMILES FC(F)(F)c1ccc(cc1)-c1cccn(C(CN2C=CC=CC=N2)c2ccccc2)c1=O |c:19,21,23| Show InChI InChI=1S/C25H20F3N3O/c26-25(27,28)21-13-11-19(12-14-21)22-10-7-17-31(24(22)32)23(20-8-3-1-4-9-20)18-30-16-6-2-5-15-29-30/h1-17,23H,18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.40E+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