BindingDB logo
myBDB logout

null

SMILES: [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1

InChI Key:

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 4 hits for monomerid = 50596297   
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
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50596297
PNG
(CHEMBL5186673)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.41E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM50596297
PNG
(CHEMBL5186673)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50596297
PNG
(CHEMBL5186673)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23|
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair
Orexin/Hypocretin receptor type 1


(Homo sapiens (Human))
BDBM50596297
PNG
(CHEMBL5186673)
Show SMILES [H][C@@]12Cc3ccc(O)c4O[C@@]5([H])[C@@H](CC=C1[C@@]5(CN2CC1CC1)c34)N(C)C(=O)\C=C\c1ccoc1 |r,t:14,THB:19:18:15:2.3.23|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmcl.2022.128527
BindingDB Entry DOI: 10.7270/Q2HT2TDM
More data for this
Ligand-Target Pair