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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 434.9
BDBM50541785

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50541785
PNG
(CHEMBL4635517)
Show SMILES CC1(C)N(C(=O)c2ccc(Cl)cc12)c1cncc(c1)N1CCN(CC1)S(C)(=O)=O
Show InChI InChI=1S/C20H23ClN4O3S/c1-20(2)18-10-14(21)4-5-17(18)19(26)25(20)16-11-15(12-22-13-16)23-6-8-24(9-7-23)29(3,27)28/h4-5,10-13H,6-9H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in human renal leiomyoblastoma cells harboring FDXR/FDX using 1-deoxycorticosterone as substrate by HTRF assay


J Med Chem 63: 6876-6897 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00233
BindingDB Entry DOI: 10.7270/Q2H998RZ
More data for this
Ligand-Target Pair