BDBM50037470 (6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL116738

SMILES: CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21

InChI Key: InChIKey=KRRIOBULVTVQLP-OWHMDLSXSA-N

Data: 5 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 5 hits for monomerid = 50037470   

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))	BDBM50037470 ((6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9| Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50037470 ((6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9| Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50037470 ((6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9| Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50037470 ((6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9| Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	77	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50037470 ((6S,11R)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:7:8:13:23.17.16,THB:22:23:13:8.10.9| Show InChI InChI=1S/C22H35NO/c1-4-5-6-7-8-9-13-23-14-12-22(3)17(2)21(23)15-18-10-11-19(24)16-20(18)22/h10-11,16-17,21,24H,4-9,12-15H2,1-3H3/t17-,21?,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against delta receptor from displacement studies using 1.5 nM [3H]DPDPE in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair