BDBM50064521 3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-piperidin-4-yl]-phenol::3-[3,4-Dimethyl-1-(3-phenyl-allyl)-piperidin-4-yl]-phenol::CHEMBL51838

SMILES: C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1

InChI Key: InChIKey=SUIRCGLIUIROIR-SRHFXGPLSA-N

Data: 9 KI

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 9 hits for monomerid = 50064521   

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 (GUINEA PIG)	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding to Opioid receptor mu 1 in Guinea pig caudate st...				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to Opioid receptor mu 1 of rat brain membranes				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DAMGO to Opioid receptor mu 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding in Guinea pig caudate stimulated by U69,593 to O...				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description The compound was tested for antagonist activity by selective inhibition of [35S]-GTP-gammaS, binding in Guinea pig caudate stimulated by SMC-80 (Opio...				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]U69, 593 to Opioid receptor kappa 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	122	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]U69,593 binding to Opioid receptor kappa 1 of guinea pig membranes				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of binding of [3H]DADLE to Opioid receptor delta 1 in guinea pig membranes				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50064521 (3-[(3R,4R)-3,4-Dimethyl-1-((E)-3-phenyl-allyl)-pip...) Show SMILES C[C@H]1CN(C\C=C\c2ccccc2)CC[C@@]1(C)c1cccc(O)c1 Show InChI InChI=1S/C22H27NO/c1-18-17-23(14-7-10-19-8-4-3-5-9-19)15-13-22(18,2)20-11-6-12-21(24)16-20/h3-12,16,18,24H,13-15,17H2,1-2H3/b10-7+/t18-,22+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	322	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain membranes				J Med Chem 41: 1980-90 (1998) Article DOI: 10.1021/jm980063g BindingDB Entry DOI: 10.7270/Q2K35SSN
					More data for this Ligand-Target Pair