BDBM50125441 3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-1H-pyridin-2-one::CHEMBL15272

SMILES: CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O

InChI Key: InChIKey=VGTHBNMEDCRZEL-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 = 50125441   

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))	BDBM50125441 (3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrroli...) Show SMILES CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O Show InChI InChI=1S/C23H24N2O3S/c1-16(26)21-9-10-22(29-21)19-8-5-12-25(23(19)28)20(17-6-3-2-4-7-17)15-24-13-11-18(27)14-24/h2-10,12,18,20,27H,11,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>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))	BDBM50125441 (3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrroli...) Show SMILES CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O Show InChI InChI=1S/C23H24N2O3S/c1-16(26)21-9-10-22(29-21)19-8-5-12-25(23(19)28)20(17-6-3-2-4-7-17)15-24-13-11-18(27)14-24/h2-10,12,18,20,27H,11,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	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))	BDBM50125441 (3-(5-Acetyl-thiophen-2-yl)-1-[2-(3-hydroxy-pyrroli...) Show SMILES CC(=O)c1ccc(s1)-c1cccn(C(CN2CCC(O)C2)c2ccccc2)c1=O Show InChI InChI=1S/C23H24N2O3S/c1-16(26)21-9-10-22(29-21)19-8-5-12-25(23(19)28)20(17-6-3-2-4-7-17)15-24-13-11-18(27)14-24/h2-10,12,18,20,27H,11,13-15H2,1H3	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 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