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PubMed code 23859149

Compile data set for download or QSAR
Found 76 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 (CYP11B2)


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1/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
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n/an/a 0.800n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
Show InChI InChI=1/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
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n/an/a 6.30n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438994
PNG
(CHEMBL2420683)
Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3
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n/an/a 11n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438994
PNG
(CHEMBL2420683)
Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3
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n/an/a 13n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438995
PNG
(CHEMBL2420682)
Show SMILES COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3
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n/an/a 15n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438993
PNG
(CHEMBL2420684)
Show SMILES Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H
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n/an/a 16n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439002
PNG
(CHEMBL2420675)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C16H12FNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 17n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438991
PNG
(CHEMBL2420686)
Show SMILES Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
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n/an/a 22n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438996
PNG
(CHEMBL2420681)
Show SMILES COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Show InChI InChI=1S/C17H14ClNO2/c1-20-13-5-3-11-4-6-15(17(18)16(11)8-13)12-7-14(21-2)10-19-9-12/h3-10H,1-2H3
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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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438999
PNG
(CHEMBL2420678)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C15H9ClFNO/c16-14-11(10-2-1-7-18-8-10)5-3-9-4-6-12(19)15(17)13(9)14/h1-8,19H
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n/an/a 25n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439003
PNG
(CHEMBL2420674)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a 26n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 27n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438993
PNG
(CHEMBL2420684)
Show SMILES Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H
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n/an/a 27n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439000
PNG
(CHEMBL2420677)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
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n/an/a 28n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 28n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 29n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439001
PNG
(CHEMBL2420676)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C15H10FNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438997
PNG
(CHEMBL2420680)
Show SMILES Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H9ClFNO/c16-15-13(10-5-11(17)8-18-7-10)4-2-9-1-3-12(19)6-14(9)15/h1-8,19H
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n/an/a 33n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438998
PNG
(CHEMBL2420679)
Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
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n/an/a 38n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438990
PNG
(CHEMBL2420687)
Show SMILES COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H14ClNO/c1-23-15-8-6-13-7-9-17(20(21)18(13)10-15)19-12-22-11-14-4-2-3-5-16(14)19/h2-12H,1H3
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n/an/a 54n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50439003
PNG
(CHEMBL2420674)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a 64n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438989
PNG
(CHEMBL2420688)
Show SMILES Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H12ClNO/c20-19-16(8-6-12-5-7-14(22)9-17(12)19)18-11-21-10-13-3-1-2-4-15(13)18/h1-11,22H
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n/an/a 66n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50439004
PNG
(CHEMBL193863)
Show SMILES COc1ccc2ccc(cc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-4-5-13(9-15(12)10-16)14-3-2-8-17-11-14/h2-11H,1H3
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n/an/a 68n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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n/an/a 72n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM50438992
PNG
(CHEMBL2420685)
Show SMILES COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
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n/an/a 72n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438996
PNG
(CHEMBL2420681)
Show SMILES COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Show InChI InChI=1S/C17H14ClNO2/c1-20-13-5-3-11-4-6-15(17(18)16(11)8-13)12-7-14(21-2)10-19-9-12/h3-10H,1-2H3
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n/an/a 94n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50439002
PNG
(CHEMBL2420675)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C16H12FNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 106n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50439000
PNG
(CHEMBL2420677)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
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n/an/a 147n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438995
PNG
(CHEMBL2420682)
Show SMILES COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3
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n/an/a 185n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438999
PNG
(CHEMBL2420678)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C15H9ClFNO/c16-14-11(10-2-1-7-18-8-10)5-3-9-4-6-12(19)15(17)13(9)14/h1-8,19H
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n/an/a 224n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50439003
PNG
(CHEMBL2420674)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a 235n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438989
PNG
(CHEMBL2420688)
Show SMILES Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H12ClNO/c20-19-16(8-6-12-5-7-14(22)9-17(12)19)18-11-21-10-13-3-1-2-4-15(13)18/h1-11,22H
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n/an/a 238n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438995
PNG
(CHEMBL2420682)
Show SMILES COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3
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n/an/a 245n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438990
PNG
(CHEMBL2420687)
Show SMILES COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H14ClNO/c1-23-15-8-6-13-7-9-17(20(21)18(13)10-15)19-12-22-11-14-4-2-3-5-16(14)19/h2-12H,1H3
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n/an/a 294n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438990
PNG
(CHEMBL2420687)
Show SMILES COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H14ClNO/c1-23-15-8-6-13-7-9-17(20(21)18(13)10-15)19-12-22-11-14-4-2-3-5-16(14)19/h2-12H,1H3
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n/an/a 362n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438999
PNG
(CHEMBL2420678)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C15H9ClFNO/c16-14-11(10-2-1-7-18-8-10)5-3-9-4-6-12(19)15(17)13(9)14/h1-8,19H
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n/an/a 375n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438996
PNG
(CHEMBL2420681)
Show SMILES COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Show InChI InChI=1S/C17H14ClNO2/c1-20-13-5-3-11-4-6-15(17(18)16(11)8-13)12-7-14(21-2)10-19-9-12/h3-10H,1-2H3
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n/an/a 447n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438997
PNG
(CHEMBL2420680)
Show SMILES Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H9ClFNO/c16-15-13(10-5-11(17)8-18-7-10)4-2-9-1-3-12(19)6-14(9)15/h1-8,19H
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n/an/a 450n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438998
PNG
(CHEMBL2420679)
Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
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n/an/a 454n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50439001
PNG
(CHEMBL2420676)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C15H10FNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a 523n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438997
PNG
(CHEMBL2420680)
Show SMILES Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H9ClFNO/c16-15-13(10-5-11(17)8-18-7-10)4-2-9-1-3-12(19)6-14(9)15/h1-8,19H
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n/an/a 525n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438992
PNG
(CHEMBL2420685)
Show SMILES COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
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n/an/a 632n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50439004
PNG
(CHEMBL193863)
Show SMILES COc1ccc2ccc(cc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-4-5-13(9-15(12)10-16)14-3-2-8-17-11-14/h2-11H,1H3
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n/an/a 721n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438989
PNG
(CHEMBL2420688)
Show SMILES Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H12ClNO/c20-19-16(8-6-12-5-7-14(22)9-17(12)19)18-11-21-10-13-3-1-2-4-15(13)18/h1-11,22H
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n/an/a 1.03E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50439001
PNG
(CHEMBL2420676)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C15H10FNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a 1.16E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438998
PNG
(CHEMBL2420679)
Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
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n/an/a 1.42E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM50438991
PNG
(CHEMBL2420686)
Show SMILES Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
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n/an/a 1.52E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using 1,2[3H]-progesterone as substrate in presence of NADPH


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50439002
PNG
(CHEMBL2420675)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C16H12FNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 1.61E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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n/an/a 1.61E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B2 (CYP11B2)


(Homo sapiens (Human))
BDBM25458
PNG
((1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-(pyridin-3...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2c1cccnc1
Show InChI InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1
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n/an/a 1.75E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50439001
PNG
(CHEMBL2420676)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C15H10FNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438997
PNG
(CHEMBL2420680)
Show SMILES Oc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H9ClFNO/c16-15-13(10-5-11(17)8-18-7-10)4-2-9-1-3-12(19)6-14(9)15/h1-8,19H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438994
PNG
(CHEMBL2420683)
Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438993
PNG
(CHEMBL2420684)
Show SMILES Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438989
PNG
(CHEMBL2420688)
Show SMILES Oc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C19H12ClNO/c20-19-16(8-6-12-5-7-14(22)9-17(12)19)18-11-21-10-13-3-1-2-4-15(13)18/h1-11,22H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50439000
PNG
(CHEMBL2420677)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438998
PNG
(CHEMBL2420679)
Show SMILES COc1ccc2ccc(-c3cncc(F)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(18)9-19-8-11/h2-9H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438995
PNG
(CHEMBL2420682)
Show SMILES COc1cncc(c1)-c1ccc2ccc(O)cc2c1Cl
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-11(8-18-9-13)14-5-3-10-2-4-12(19)7-15(10)16(14)17/h2-9,19H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50439004
PNG
(CHEMBL193863)
Show SMILES COc1ccc2ccc(cc2c1)-c1cccnc1
Show InChI InChI=1S/C16H13NO/c1-18-16-7-6-12-4-5-13(9-15(12)10-16)14-3-2-8-17-11-14/h2-11H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438996
PNG
(CHEMBL2420681)
Show SMILES COc1ccc2ccc(-c3cncc(OC)c3)c(Cl)c2c1
Show InChI InChI=1S/C17H14ClNO2/c1-20-13-5-3-11-4-6-15(17(18)16(11)8-13)12-7-14(21-2)10-19-9-12/h3-10H,1-2H3
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438992
PNG
(CHEMBL2420685)
Show SMILES COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438990
PNG
(CHEMBL2420687)
Show SMILES COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show InChI InChI=1S/C20H14ClNO/c1-23-15-8-6-13-7-9-17(20(21)18(13)10-15)19-12-22-11-14-4-2-3-5-16(14)19/h2-12H,1H3
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50439003
PNG
(CHEMBL2420674)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO/c16-15-13(11-2-1-7-17-9-11)6-4-10-3-5-12(18)8-14(10)15/h1-9,18H
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Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50439002
PNG
(CHEMBL2420675)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(F)c2c1
Show InChI InChI=1S/C16H12FNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438999
PNG
(CHEMBL2420678)
Show SMILES Oc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C15H9ClFNO/c16-14-11(10-2-1-7-18-8-10)5-3-9-4-6-12(19)15(17)13(9)14/h1-8,19H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 19A1


(Homo sapiens (Human))
BDBM50438991
PNG
(CHEMBL2420686)
Show SMILES Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
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n/an/a>2.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


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


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438991
PNG
(CHEMBL2420686)
Show SMILES Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C14H9ClN2O/c15-14-12(10-6-16-8-17-7-10)4-2-9-1-3-11(18)5-13(9)14/h1-8,18H
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n/an/a 2.43E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8913
PNG
(3-(1-Chloro-7-methoxy-2-naphthyl)pyridine | 3-(1-c...)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO/c1-19-13-6-4-11-5-7-14(16(17)15(11)9-13)12-3-2-8-18-10-12/h2-10H,1H3
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n/an/a 2.72E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438993
PNG
(CHEMBL2420684)
Show SMILES Oc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C15H10ClNO2/c16-15-13(10-5-12(19)8-17-7-10)4-2-9-1-3-11(18)6-14(9)15/h1-8,18-19H
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n/an/a 2.82E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50439000
PNG
(CHEMBL2420677)
Show SMILES COc1ccc2ccc(-c3cccnc3)c(Cl)c2c1F
Show InChI InChI=1S/C16H11ClFNO/c1-20-13-7-5-10-4-6-12(11-3-2-8-19-9-11)15(17)14(10)16(13)18/h2-9H,1H3
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n/an/a 2.94E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (Human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 3.00E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP17


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM8904
PNG
(3-(2-Naphthyl)pyridine | 3-(naphthalen-2-yl)pyridi...)
Show SMILES c1ccc2cc(ccc2c1)-c1cccnc1
Show InChI InChI=1S/C15H11N/c1-2-5-13-10-14(8-7-12(13)4-1)15-6-3-9-16-11-15/h1-11H
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n/an/a 5.83E+3n/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438994
PNG
(CHEMBL2420683)
Show SMILES COc1ccc2ccc(-c3cncc(O)c3)c(Cl)c2c1
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-4-2-10-3-5-14(16(17)15(10)7-13)11-6-12(19)9-18-8-11/h2-9,19H,1H3
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n/an/a 7.10E+3n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))
BDBM50438992
PNG
(CHEMBL2420685)
Show SMILES COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1
Show InChI InChI=1S/C15H11ClN2O/c1-19-12-4-2-10-3-5-13(15(16)14(10)6-12)11-7-17-9-18-8-11/h2-9H,1H3
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n/an/a 1.23E+4n/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-deoxycorticosterone as substrate


J Med Chem 56: 6101-7 (2013)


Article DOI: 10.1021/jm400484p
BindingDB Entry DOI: 10.7270/Q2CJ8FX2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%