BDBM21114 3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoyl}propanoic acid::4-anilidopiperidine, 8::CHEMBL216239

SMILES: OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1

InChI Key: InChIKey=MEVFKTVEGJUHHI-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 = 21114   

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))	BDBM21114 (3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...) Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	-7.18	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21114 (3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...) Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	-6.85	n/a	n/a	n/a	n/a	n/a	7.4	25
University of Arizona at Tucson					Assay Description Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...				J Med Chem 50: 5528-32 (2007) Article DOI: 10.1021/jm061465o BindingDB Entry DOI: 10.7270/Q2D50K8P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM21114 (3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...) Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Activity at mu opioid receptor by GPI/LMMP assay				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 (Rattus norvegicus (rat))	BDBM21114 (3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...) Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM21114 (3-{phenyl[1-(2-phenylethyl)piperidin-4-yl]carbamoy...) Show SMILES OC(=O)CCC(=O)N(C1CCN(CCc2ccccc2)CC1)c1ccccc1 Show InChI InChI=1S/C23H28N2O3/c26-22(11-12-23(27)28)25(20-9-5-2-6-10-20)21-14-17-24(18-15-21)16-13-19-7-3-1-4-8-19/h1-10,21H,11-18H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+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