BDBM50108439 1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-pyridin-2-one::CHEMBL302684

SMILES: Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O

InChI Key: InChIKey=YIPXKVDHHLNWTL-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 = 50108439   

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))	BDBM50108439 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...) Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	639	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50108439 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...) Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3	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 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))	BDBM50108439 (1-(1-Phenyl-2-pyrrolidin-1-yl-ethyl)-3-m-tolyl-1H-...) Show SMILES Cc1cccc(c1)-c1cccn(C(CN2CCCC2)c2ccccc2)c1=O Show InChI InChI=1S/C24H26N2O/c1-19-9-7-12-21(17-19)22-13-8-16-26(24(22)27)23(18-25-14-5-6-15-25)20-10-3-2-4-11-20/h2-4,7-13,16-17,23H,5-6,14-15,18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	79	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