BDBM50177702 3-(trans-4,5-dimethyl-1-(3-phenylpropyl)-2-alpha-propylpiperidin-4-yl)phenol::CHEMBL201661

SMILES: CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1

InChI Key: InChIKey=PQPOQASWNKXWGE-QUURXOELSA-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 = 50177702   

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))	BDBM50177702 (3-(trans-4,5-dimethyl-1-(3-phenylpropyl)-2-alpha-p...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C25H35NO/c1-4-10-23-18-25(3,22-14-8-15-24(27)17-22)20(2)19-26(23)16-9-13-21-11-6-5-7-12-21/h5-8,11-12,14-15,17,20,23,27H,4,9-10,13,16,18-19H2,1-3H3/t20-,23+,25+/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	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Adolor Corporation Curated by ChEMBL					Assay Description Inhibition of loperamide-stimulated [35S]GTP-gamma-S 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50177702 (3-(trans-4,5-dimethyl-1-(3-phenylpropyl)-2-alpha-p...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C25H35NO/c1-4-10-23-18-25(3,22-14-8-15-24(27)17-22)20(2)19-26(23)16-9-13-21-11-6-5-7-12-21/h5-8,11-12,14-15,17,20,23,27H,4,9-10,13,16,18-19H2,1-3H3/t20-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50177702 (3-(trans-4,5-dimethyl-1-(3-phenylpropyl)-2-alpha-p...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C25H35NO/c1-4-10-23-18-25(3,22-14-8-15-24(27)17-22)20(2)19-26(23)16-9-13-21-11-6-5-7-12-21/h5-8,11-12,14-15,17,20,23,27H,4,9-10,13,16,18-19H2,1-3H3/t20-,23+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50177702 (3-(trans-4,5-dimethyl-1-(3-phenylpropyl)-2-alpha-p...) Show SMILES CCC[C@@H]1C[C@](C)([C@@H](C)CN1CCCc1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C25H35NO/c1-4-10-23-18-25(3,22-14-8-15-24(27)17-22)20(2)19-26(23)16-9-13-21-11-6-5-7-12-21/h5-8,11-12,14-15,17,20,23,27H,4,9-10,13,16,18-19H2,1-3H3/t20-,23+,25+/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	16	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