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BDBM50239789 CHEMBL4097298

SMILES: COc1cncc(Cc2cc(no2)-c2ccccc2)c1

InChI Key:

Data: 4 IC50

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 = 50239789   
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
Cytochrome P450 11B


(Rattus norvegicus)
BDBM50239789
PNG
(CHEMBL4097298)
Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL




J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50239789
PNG
(CHEMBL4097298)
Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
The compound was tested for the ability to displace Opioid receptor mu 1 specific radioligand [3H]DAGO


J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Homo sapiens (Human))
BDBM50239789
PNG
(CHEMBL4097298)
Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL




J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50239789
PNG
(CHEMBL4097298)
Show SMILES COc1cncc(Cc2cc(no2)-c2ccccc2)c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL




J Med Chem 60: 5086-5098 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00437
BindingDB Entry DOI: 10.7270/Q24F1SWW
More data for this
Ligand-Target Pair