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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1, mitochondrial' and Ligand = 'BDBM9920'   
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 11B1, mitochondrial


(Homo sapiens (Human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Eindhoven University of Technology

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in chinese hamster V79 cells


J Med Chem 53: 1712-25 (2010)


Article DOI: 10.1021/jm901356d
BindingDB Entry DOI: 10.7270/Q2XS5VGF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM9920
PNG
((S)Fadrozole | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1...)
Show SMILES N#Cc1ccc(cc1)[C@@H]1CCCc2cncn12 |r|
Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 171n/an/an/an/an/an/a



Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in V79 MZ cells pretreated with compound for 1 hr followed by addition of 500 nM 11-deoxycorticosterone for 3 h...


J Med Chem 57: 5011-22 (2014)


Article DOI: 10.1021/jm401430e
BindingDB Entry DOI: 10.7270/Q2QR4ZRP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)