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BDBM50162291 CHEMBL3794161

SMILES: COc1ccc2c(c1)occ(Cn1ccnc1)c2=O

InChI Key: InChIKey=ZDCWVUORJCJNGQ-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50162291   
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 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50162291
PNG
(CHEMBL3794161)
Show SMILES COc1ccc2c(c1)occ(Cn1ccnc1)c2=O
Show InChI InChI=1S/C14H12N2O3/c1-18-11-2-3-12-13(6-11)19-8-10(14(12)17)7-16-5-4-15-9-16/h2-6,8-9H,7H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 768n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in V79 MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate for 30 mins by HPTLC analysis


J Med Chem 59: 2468-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01609
BindingDB Entry DOI: 10.7270/Q2MC91XX
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50162291
PNG
(CHEMBL3794161)
Show SMILES COc1ccc2c(c1)occ(Cn1ccnc1)c2=O
Show InChI InChI=1S/C14H12N2O3/c1-18-11-2-3-12-13(6-11)19-8-10(14(12)17)7-16-5-4-15-9-16/h2-6,8-9H,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 372n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZh cells using [1,2-3H]-11-deoxycorticosterone as substrate for 6 hrs by HPTLC analysis


J Med Chem 59: 2468-77 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01609
BindingDB Entry DOI: 10.7270/Q2MC91XX
More data for this
Ligand-Target Pair