BDBM50191059 2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-phenyl-carbamoyl]-ethyl}-3-phenyl-propionamide::CHEMBL216492

SMILES: CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=WUNPBVOUZWDDSI-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50191059   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50191059 (2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-p...) Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50191059 (2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-p...) Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50191059 (2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-p...) Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat mu opioid receptor				Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50191059 (2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-p...) Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 23: 3434-7 (2013) Article DOI: 10.1016/j.bmcl.2013.03.065 BindingDB Entry DOI: 10.7270/Q2T72MCM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50191059 (2-acetylamino-N-{2-[(1-phenethyl-piperidin-4-yl)-p...) Show SMILES CC(=O)NC(Cc1ccccc1)C(=O)NCCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C33H40N4O3/c1-26(38)35-31(25-28-13-7-3-8-14-28)33(40)34-21-17-32(39)37(29-15-9-4-10-16-29)30-19-23-36(24-20-30)22-18-27-11-5-2-6-12-27/h2-16,30-31H,17-25H2,1H3,(H,34,40)(H,35,38)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human delta opioid receptor				Bioorg Med Chem Lett 16: 4946-50 (2006) Article DOI: 10.1016/j.bmcl.2006.06.040 BindingDB Entry DOI: 10.7270/Q24B30Z0
					More data for this Ligand-Target Pair