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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B2, mitochondrial' and Ligand = 'BDBM50238114'   
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))
BDBM50238114
PNG
(CHEMBL4093575)
Show SMILES CC(C)C(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O3S/c1-14(2)20(26,15-8-10-25(11-9-15)29(3,27)28)18-12-22-13-23-19(18)24-17-6-4-16(21)5-7-17/h4-7,12-15,26H,8-11H2,1-3H3,(H,22,23,24)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in HEK293A cells using deoxycorticosterone as substrate pretreated for 1 hr followed by substrate addition meas...


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Mus musculus)
BDBM50238114
PNG
(CHEMBL4093575)
Show SMILES CC(C)C(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
Show InChI InChI=1S/C20H27FN4O3S/c1-14(2)20(26,15-8-10-25(11-9-15)29(3,27)28)18-12-22-13-23-19(18)24-17-6-4-16(21)5-7-17/h4-7,12-15,26H,8-11H2,1-3H3,(H,22,23,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Daiichi-Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Concentration required to inhibit the activity of Angiotensin I converting enzyme by 50%


Bioorg Med Chem Lett 27: 1902-1906 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.034
BindingDB Entry DOI: 10.7270/Q2KS6TTS
More data for this
Ligand-Target Pair