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BDBM50037473 (6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL326548

SMILES: CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21

InChI Key: InChIKey=IHGFBAKIGVPJDC-DGCGVQPYSA-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 = 50037473   
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))
BDBM50037473
PNG
((6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23-/m0/s1
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32n/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
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50037473
PNG
((6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23-/m0/s1
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151n/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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50037473
PNG
((6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23-/m0/s1
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183n/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
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50037473
PNG
((6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23-/m0/s1
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464n/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))
BDBM50037473
PNG
((6S,11R)-6,11-Dimethyl-3-nonyl-1,2,3,4,5,6-hexahyd...)
Show SMILES CCCCCCCCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:8:9:14:24.18.17,THB:23:24:14:9.11.10|
Show InChI InChI=1S/C23H37NO/c1-4-5-6-7-8-9-10-14-24-15-13-23(3)18(2)22(24)16-19-11-12-20(25)17-21(19)23/h11-12,17-18,22,25H,4-10,13-16H2,1-3H3/t18-,22?,23-/m0/s1
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709n/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