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PubMed code 24900679

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
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))
BDBM50428336
PNG
(CHEMBL2331704)
Show SMILES COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C20H22N4O/c1-13-22-23-19-8-6-15-9-14(5-7-18(15)24(13)19)16-10-17(12-21-11-16)20(2,3)25-4/h5,7,9-12H,6,8H2,1-4H3
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PubMed
n/an/a 5n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428337
PNG
(CHEMBL2331706)
Show SMILES Cc1nnc2CCc3cc(ccc3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H16N4/c1-13-22-23-20-9-7-15-10-14(6-8-19(15)24(13)20)18-12-21-11-16-4-2-3-5-17(16)18/h2-6,8,10-12H,7,9H2,1H3
PDB

UniProtKB/SwissProt

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



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428333
PNG
(CHEMBL2331701)
Show SMILES Cc1nnc2CCc3cc(c(Cl)cc3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15ClN4/c1-12-23-24-20-7-6-13-8-16(18(21)9-19(13)25(12)20)17-11-22-10-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7H2,1H3
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UniProtKB/SwissProt

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PubMed
n/an/a 17n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428335
PNG
(CHEMBL2331705)
Show SMILES Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3
PDB

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PubMed
n/an/a 22n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428332
PNG
(CHEMBL2331702)
Show SMILES COc1c(C)cncc1-c1cc2CCc3nnc(C)n3-c2cc1F
Show InChI InChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3
PDB

UniProtKB/SwissProt

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PubMed
n/an/a 32n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428330
PNG
(CHEMBL2331700)
Show SMILES CCc1c(F)cncc1-c1cc2CCc3nnc(C)n3-c2c(F)c1F
Show InChI InChI=1S/C18H15F3N4/c1-3-11-13(7-22-8-14(11)19)12-6-10-4-5-15-24-23-9(2)25(15)18(10)17(21)16(12)20/h6-8H,3-5H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
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PubMed
n/an/a 41n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428334
PNG
(CHEMBL2331703)
Show SMILES Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C1CC1
Show InChI InChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem

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Article
PubMed
n/an/a 48n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))
BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
n/an/a 89n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B2 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428336
PNG
(CHEMBL2331704)
Show SMILES COC(C)(C)c1cncc(c1)-c1ccc-2c(CCc3nnc(C)n-23)c1
Show InChI InChI=1S/C20H22N4O/c1-13-22-23-19-8-6-15-9-14(5-7-18(15)24(13)19)16-10-17(12-21-11-16)20(2,3)25-4/h5,7,9-12H,6,8H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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PubMed
n/an/a 108n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428337
PNG
(CHEMBL2331706)
Show SMILES Cc1nnc2CCc3cc(ccc3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H16N4/c1-13-22-23-20-9-7-15-10-14(6-8-19(15)24(13)20)18-12-21-11-16-4-2-3-5-17(16)18/h2-6,8,10-12H,7,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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UniChem

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Article
PubMed
n/an/a 407n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428334
PNG
(CHEMBL2331703)
Show SMILES Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C1CC1
Show InChI InChI=1S/C19H17ClN4/c1-11-22-23-18-5-4-13-8-14(9-17(20)19(13)24(11)18)16-10-21-7-6-15(16)12-2-3-12/h6-10,12H,2-5H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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UniChem

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Article
PubMed
n/an/a 6.93E+3n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428332
PNG
(CHEMBL2331702)
Show SMILES COc1c(C)cncc1-c1cc2CCc3nnc(C)n3-c2cc1F
Show InChI InChI=1S/C18H17FN4O/c1-10-8-20-9-14(18(10)24-3)13-6-12-4-5-17-22-21-11(2)23(17)16(12)7-15(13)19/h6-9H,4-5H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428333
PNG
(CHEMBL2331701)
Show SMILES Cc1nnc2CCc3cc(c(Cl)cc3-n12)-c1cncc2ccccc12
Show InChI InChI=1S/C20H15ClN4/c1-12-23-24-20-7-6-13-8-16(18(21)9-19(13)25(12)20)17-11-22-10-14-4-2-3-5-15(14)17/h2-5,8-11H,6-7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428330
PNG
(CHEMBL2331700)
Show SMILES CCc1c(F)cncc1-c1cc2CCc3nnc(C)n3-c2c(F)c1F
Show InChI InChI=1S/C18H15F3N4/c1-3-11-13(7-22-8-14(11)19)12-6-10-4-5-15-24-23-9(2)25(15)18(10)17(21)16(12)20/h6-8H,3-5H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
n/an/a 1.73E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428331
PNG
(CHEMBL2331699)
Show SMILES Cc1nnc2CCc3cc(cc(F)c3-n12)-c1cncc(F)c1
Show InChI InChI=1S/C16H12F2N4/c1-9-20-21-15-3-2-10-4-11(6-14(18)16(10)22(9)15)12-5-13(17)8-19-7-12/h4-8H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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UniChem

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Article
PubMed
n/an/a 2.95E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50428335
PNG
(CHEMBL2331705)
Show SMILES Cc1nnc2CCc3cc(cc(Cl)c3-n12)-c1cnccc1C(F)(F)F
Show InChI InChI=1S/C17H12ClF3N4/c1-9-23-24-15-3-2-10-6-11(7-14(18)16(10)25(9)15)12-8-22-5-4-13(12)17(19,20)21/h4-8H,2-3H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
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UniChem

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Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Temple University

Curated by ChEMBL


Assay Description
Inhibition of human Cyp11B1 transfected in chinese hamster V79MZ cells using deoxycorticosterone as substrate incubated for 60 mins prior to substrat...


ACS Med Chem Lett 4: 375-6 (2013)


Article DOI: 10.1021/ml4000589
BindingDB Entry DOI: 10.7270/Q26H4JRN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%