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BDBM50062547 CHEMBL3397605

SMILES: O=C1Nc2ccc(cc2CO1)-c1cncc2ccccc12

InChI Key: InChIKey=OJQULHYDJOMGHK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50062547   
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 11B1, mitochondrial


(Homo sapiens (human))
BDBM50062547
PNG
(CHEMBL3397605)
Show SMILES O=C1Nc2ccc(cc2CO1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12N2O2/c20-17-19-16-6-5-11(7-13(16)10-21-17)15-9-18-8-12-3-1-2-4-14(12)15/h1-9H,10H2,(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B1 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...


Eur J Med Chem 90: 788-96 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.022
BindingDB Entry DOI: 10.7270/Q2PZ5BGS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (human))
BDBM50062547
PNG
(CHEMBL3397605)
Show SMILES O=C1Nc2ccc(cc2CO1)-c1cncc2ccccc12
Show InChI InChI=1S/C17H12N2O2/c20-17-19-16-6-5-11(7-13(16)10-21-17)15-9-18-8-12-3-1-2-4-14(12)15/h1-9H,10H2,(H,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 0.300n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of CYP11B2 in human V79MZ cells using [3H]-11-deoxycorticosterone as substrate incubated for 1 hr prior to substrate addition measured aft...


Eur J Med Chem 90: 788-96 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.022
BindingDB Entry DOI: 10.7270/Q2PZ5BGS
More data for this
Ligand-Target Pair