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BDBM50037484 (6S,11S)-6,11-Dimethyl-3-octyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL114163

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

InChI Key: InChIKey=KRRIOBULVTVQLP-UCLFCPHBSA-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 = 50037484   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50037484
PNG
((6S,11S)-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+/m1/s1
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2.80n/an/an/an/an/an/an/an/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))
BDBM50037484
PNG
((6S,11S)-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+/m1/s1
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160n/an/an/an/an/an/an/an/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50037484
PNG
((6S,11S)-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+/m1/s1
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522n/an/an/an/an/an/an/an/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037484
PNG
((6S,11S)-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+/m1/s1
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1.59E+3n/an/an/an/an/an/an/an/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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50037484
PNG
((6S,11S)-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+/m1/s1
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2.27E+3n/an/an/an/an/an/an/an/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