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SMILES: CN1CC[C@@]23C4Oc5c2c(CC1C3(O)CCC41CO1)ccc5O

InChI Key: InChIKey=JEPCLIUXNHCZQU-XTJJSTJDSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50225685   
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
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50225685
PNG
(CHEMBL175344)
Show SMILES CN1CC[C@@]23C4Oc5c2c(CC1C3(O)CCC41CO1)ccc5O |r,TLB:13:12:8.9.10:3.1.2,THB:14:12:8.9.10:3.1.2,0:1:12:8.9.10,7:8:12:3.1.2,19:9:12:3.1.2|
Show InChI InChI=1S/C18H21NO4/c1-19-7-6-17-13-10-2-3-11(20)14(13)23-15(17)16(9-22-16)4-5-18(17,21)12(19)8-10/h2-3,12,15,20-21H,4-9H2,1H3/t12?,15?,16?,17-,18?/m0/s1
PDB
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CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the presence of 100 mM NaCl.


J Med Chem 28: 949-57 (1985)


BindingDB Entry DOI: 10.7270/Q25M67XN
More data for this
Ligand-Target Pair
Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1


(Rattus norvegicus (rat)-RAT)
BDBM50225685
PNG
(CHEMBL175344)
Show SMILES CN1CC[C@@]23C4Oc5c2c(CC1C3(O)CCC41CO1)ccc5O |r,TLB:13:12:8.9.10:3.1.2,THB:14:12:8.9.10:3.1.2,0:1:12:8.9.10,7:8:12:3.1.2,19:9:12:3.1.2|
Show InChI InChI=1S/C18H21NO4/c1-19-7-6-17-13-10-2-3-11(20)14(13)23-15(17)16(9-22-16)4-5-18(17,21)12(19)8-10/h2-3,12,15,20-21H,4-9H2,1H3/t12?,15?,16?,17-,18?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro opioid receptor binding competition against 1 nM [3H]- Naltrexone in the absence of NaCl.


J Med Chem 28: 949-57 (1985)


BindingDB Entry DOI: 10.7270/Q25M67XN
More data for this
Ligand-Target Pair