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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Steroid 11-beta-monooxygenase'   
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
Steroid 11-beta-monooxygenase


(Rattus norvegicus)
BDBM50338356
PNG
((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)
UniProtKB/TrEMBL

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PC sid
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Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Steroid 11-beta-monooxygenase


(Rattus norvegicus)
BDBM50338356
PNG
((+)-7-[1-Hydroxy-1-(1H-imidazol-4-yl)-2-methylprop...)
Show SMILES CC(C)C(O)(c1cnc[nH]1)c1ccc2c3CNC(=O)c3ccc2c1
Show InChI InChI=1S/C19H19N3O2/c1-11(2)19(24,17-9-20-10-22-17)13-4-6-14-12(7-13)3-5-15-16(14)8-21-18(15)23/h3-7,9-11,24H,8H2,1-2H3,(H,20,22)(H,21,23)
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Steroid 11-beta-monooxygenase


(Rattus norvegicus)
BDBM50338365
PNG
((-)-(S)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m0/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair
Steroid 11-beta-monooxygenase


(Rattus norvegicus)
BDBM50338360
PNG
((+)-(R)-7-(1-hydroxy-1-(1H-imidazol-4-yl)-2-methyl...)
Show SMILES CC(C)[C@](O)(c1cnc[nH]1)c1ccc2c3CN(C)C(=O)c3ccc2c1 |r|
Show InChI InChI=1S/C20H21N3O2/c1-12(2)20(25,18-9-21-11-22-18)14-5-7-15-13(8-14)4-6-16-17(15)10-23(3)19(16)24/h4-9,11-12,25H,10H2,1-3H3,(H,21,22)/t20-/m1/s1
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of 11-hydroxylase activity in Sprague-Dawley rat adrenal gland


Bioorg Med Chem 19: 1751-70 (2011)


Article DOI: 10.1016/j.bmc.2011.01.017
BindingDB Entry DOI: 10.7270/Q2X92C9F
More data for this
Ligand-Target Pair