BDBM50177680 3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(2-(pyrrolidin-1-yl)ethyl)piperidin-4-yl)phenol::CHEMBL201282

SMILES: C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=RWTHZAWTEOQTJR-GEWUYGHSSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50177680   

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 (Homo sapiens (Human))	BDBM50177680 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(2-(pyrr...) Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H38N2O/c1-22-21-29(18-13-23-9-4-3-5-10-23)25(14-17-28-15-6-7-16-28)20-27(22,2)24-11-8-12-26(30)19-24/h3-5,8-12,19,22,25,30H,6-7,13-18,20-21H2,1-2H3/t22-,25+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned mu opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50177680 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(2-(pyrr...) Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H38N2O/c1-22-21-29(18-13-23-9-4-3-5-10-23)25(14-17-28-15-6-7-16-28)20-27(22,2)24-11-8-12-26(30)19-24/h3-5,8-12,19,22,25,30H,6-7,13-18,20-21H2,1-2H3/t22-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned delta opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50177680 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(2-(pyrr...) Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H38N2O/c1-22-21-29(18-13-23-9-4-3-5-10-23)25(14-17-28-15-6-7-16-28)20-27(22,2)24-11-8-12-26(30)19-24/h3-5,8-12,19,22,25,30H,6-7,13-18,20-21H2,1-2H3/t22-,25+,27+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human cloned kappa opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177680 (3-(trans-4,5-dimethyl-1-phenethyl-2-alpha-(2-(pyrr...) Show SMILES C[C@H]1CN(CCc2ccccc2)[C@H](CCN2CCCC2)C[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C27H38N2O/c1-22-21-29(18-13-23-9-4-3-5-10-23)25(14-17-28-15-6-7-16-28)20-27(22,2)24-11-8-12-26(30)19-24/h3-5,8-12,19,22,25,30H,6-7,13-18,20-21H2,1-2H3/t22-,25+,27+/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of loperamide-stimulated [35S]GTPgammaS binding to membranes containing mu opioid receptor				Bioorg Med Chem Lett 16: 864-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.010 BindingDB Entry DOI: 10.7270/Q2RJ4J1J
					More data for this Ligand-Target Pair