BDBM50064517 3-[(3R,4R)-1-(3-Hydroxy-3-phenyl-cyclohexyl)-3,4-dimethyl-piperidin-4-yl]-phenol::CHEMBL444048

SMILES: C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1

InChI Key: InChIKey=JQHYOROXOLVDNO-FLCPZYIPSA-N

Data: 3 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 3 hits for monomerid = 50064517   

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))	BDBM50064517 (3-[(3R,4R)-1-(3-Hydroxy-3-phenyl-cyclohexyl)-3,4-d...) Show SMILES C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-19-18-26(15-14-24(19,2)21-10-6-12-23(27)16-21)22-11-7-13-25(28,17-22)20-8-4-3-5-9-20/h3-6,8-10,12,16,19,22,27-28H,7,11,13-15,17-18H2,1-2H3/t19-,22?,24+,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50064517 (3-[(3R,4R)-1-(3-Hydroxy-3-phenyl-cyclohexyl)-3,4-d...) Show SMILES C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-19-18-26(15-14-24(19,2)21-10-6-12-23(27)16-21)22-11-7-13-25(28,17-22)20-8-4-3-5-9-20/h3-6,8-10,12,16,19,22,27-28H,7,11,13-15,17-18H2,1-2H3/t19-,22?,24+,25?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	674	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50064517 (3-[(3R,4R)-1-(3-Hydroxy-3-phenyl-cyclohexyl)-3,4-d...) Show SMILES C[C@H]1CN(CC[C@@]1(C)c1cccc(O)c1)C1CCCC(O)(C1)c1ccccc1 Show InChI InChI=1S/C25H33NO2/c1-19-18-26(15-14-24(19,2)21-10-6-12-23(27)16-21)22-11-7-13-25(28,17-22)20-8-4-3-5-9-20/h3-6,8-10,12,16,19,22,27-28H,7,11,13-15,17-18H2,1-2H3/t19-,22?,24+,25?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>7.30E+3	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