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SMILES: [H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC

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 = 50594867   
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
Mu-type opioid receptor


(GUINEA PIG)
BDBM50594867
PNG
(CHEMBL5187788)
Show SMILES [H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.40n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50594867
PNG
(CHEMBL5187788)
Show SMILES [H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
55n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50594867
PNG
(CHEMBL5187788)
Show SMILES [H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 250n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50594867
PNG
(CHEMBL5187788)
Show SMILES [H][C@]12Nc3cccc(OC)c3[C@@]1(O)CCN1C[C@@H](CC)[C@]([H])(C[C@@]21[H])C(=C/OC)\C(=O)OC |r|
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.49E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01915
BindingDB Entry DOI: 10.7270/Q22B931S
More data for this
Ligand-Target Pair