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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50395455   
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))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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Article
PubMed
n/an/a 2.20n/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 hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
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n/an/a 2.20n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB

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Article
PubMed
n/an/a 10.3n/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 hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB

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Article
PubMed
n/an/a 10.3n/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 hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79 MZh cells using deoxycorticosterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 24n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh cells using [1,2-3H]-11-deoxy-corticosterone as substrate


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB
MMDB

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Article
PubMed
n/an/a 228n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human placental CYP19 using androstenedione substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB
MMDB

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n/an/a 228n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP19 using [1beta-3H]androstenedione as substrate by 3H2O method


J Med Chem 56: 460-70 (2013)


Article DOI: 10.1021/jm301408t
BindingDB Entry DOI: 10.7270/Q2X34ZSF
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))
BDBM50395455
PNG
(CHEMBL2163639)
Show SMILES O=C1CCc2cc(cc3CCN1c23)C(C1CC1)n1ccnc1
Show InChI InChI=1S/C18H19N3O/c22-16-4-3-13-9-15(10-14-5-7-21(16)18(13)14)17(12-1-2-12)20-8-6-19-11-20/h6,8-12,17H,1-5,7H2
PDB

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PubMed
n/an/a 2.88E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using progesterone substrate


J Med Chem 55: 6629-33 (2012)


Article DOI: 10.1021/jm3003872
BindingDB Entry DOI: 10.7270/Q2Q241CP
More data for this
Ligand-Target Pair