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PubMed code 25462268

Compile data set for download or QSAR
Found 44 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))		BDBM8611
PNG
(4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...)
Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12
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
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n/an/a 0.800n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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=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
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n/an/a 6.30n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038692
PNG
(CHEMBL3354859)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(OC(F)(F)F)c1)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-3-8-17(12-16)30(28)21-18-9-2-1-5-14(18)11-19(20(21)27)15-6-4-10-26-13-15/h1-13,27H
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n/an/a 14n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038635
PNG
(CHEMBL3354853)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
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n/an/a 22n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038637
PNG
(CHEMBL3354855)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1Cl)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-18-9-3-4-10-19(18)26(25)21-16-8-2-1-6-14(16)12-17(20(21)24)15-7-5-11-23-13-15/h1-13,24H
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n/an/a 22n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038694
PNG
(CHEMBL3354861)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(cc1)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)16-7-9-17(10-8-16)29(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
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n/an/a 25n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038633
PNG
(CHEMBL3354851)
Show SMILES COc1cccc(c1)[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-17-8-4-9-18(13-17)27(25)22-19-10-3-2-6-15(19)12-20(21(22)24)16-7-5-11-23-14-16/h2-14,24H,1H3
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n/an/a 27n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038643
PNG
(CHEMBL3354858)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(OC(F)(F)F)cc1)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-9-17(10-8-16)30(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
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n/an/a 32n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038629
PNG
(CHEMBL3354849)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C21H15NO2S/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)25(24)17-9-2-1-3-10-17/h1-14,23H
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n/an/a 33n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038609
PNG
(CHEMBL3354866)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)c(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2NO2S/c22-18-8-7-15(11-19(18)23)27(26)21-16-6-2-1-4-13(16)10-17(20(21)25)14-5-3-9-24-12-14/h1-12,25H
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n/an/a 33n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038639
PNG
(CHEMBL3354856)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C21H14FNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
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n/an/a 33n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038610
PNG
(CHEMBL3354867)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C23H13F6NO2S/c24-22(25,26)15-9-16(23(27,28)29)11-17(10-15)33(32)21-18-6-2-1-4-13(18)8-19(20(21)31)14-5-3-7-30-12-14/h1-12,31H
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n/an/a 33n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038640
PNG
(CHEMBL3354857)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(F)c1)-c1cccnc1
Show InChI InChI=1S/C21H14FNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
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n/an/a 39n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038695
PNG
(CHEMBL3354862)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)16-7-3-8-17(12-16)29(28)21-18-9-2-1-5-14(18)11-19(20(21)27)15-6-4-10-26-13-15/h1-13,27H
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n/an/a 43n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038608
PNG
(CHEMBL3354865)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
Show InChI InChI=1S/C22H14N2O2S/c23-13-15-5-3-8-18(11-15)27(26)22-19-9-2-1-6-16(19)12-20(21(22)25)17-7-4-10-24-14-17/h1-12,14,25H
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n/an/a 46n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038611
PNG
(CHEMBL3354868)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cc(Cl)cc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2NO2S/c22-15-9-16(23)11-17(10-15)27(26)21-18-6-2-1-4-13(18)8-19(20(21)25)14-5-3-7-24-12-14/h1-12,25H
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n/an/a 47n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038632
PNG
(CHEMBL3354850)
Show SMILES COc1ccc(cc1)[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-17-8-10-18(11-9-17)27(25)22-19-7-3-2-5-15(19)13-20(21(22)24)16-6-4-12-23-14-16/h2-14,24H,1H3
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n/an/a 48n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038612
PNG
(CHEMBL3354869)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(F)c(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13ClFNO2S/c22-18-11-15(7-8-19(18)23)27(26)21-16-6-2-1-4-13(16)10-17(20(21)25)14-5-3-9-24-12-14/h1-12,25H
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n/an/a 53n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038696
PNG
(CHEMBL3354863)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)18-9-3-4-10-19(18)29(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H
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n/an/a 53n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038693
PNG
(CHEMBL3354860)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1OC(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-18-9-3-4-10-19(18)30(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H
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n/an/a 56n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038636
PNG
(CHEMBL3354854)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
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n/an/a 60n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038634
PNG
(CHEMBL3354852)
Show SMILES COc1ccccc1[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-19-10-4-5-11-20(19)27(25)22-17-9-3-2-7-15(17)13-18(21(22)24)16-8-6-12-23-14-16/h2-14,24H,1H3
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n/an/a 64n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038618
PNG
(CHEMBL3354870)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccs1)-c1cccnc1
Show InChI InChI=1S/C19H13NO2S2/c21-18-16(14-6-3-9-20-12-14)11-13-5-1-2-7-15(13)19(18)24(22)17-8-4-10-23-17/h1-12,21H
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n/an/a 192n/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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038634
PNG
(CHEMBL3354852)
Show SMILES COc1ccccc1[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-19-10-4-5-11-20(19)27(25)22-17-9-3-2-7-15(17)13-18(21(22)24)16-8-6-12-23-14-16/h2-14,24H,1H3
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n/an/a 1.10E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038632
PNG
(CHEMBL3354850)
Show SMILES COc1ccc(cc1)[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-17-8-10-18(11-9-17)27(25)22-19-7-3-2-5-15(19)13-20(21(22)24)16-6-4-12-23-14-16/h2-14,24H,1H3
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n/an/a 4.20E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038637
PNG
(CHEMBL3354855)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1Cl)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-18-9-3-4-10-19(18)26(25)21-16-8-2-1-6-14(16)12-17(20(21)24)15-7-5-11-23-13-15/h1-13,24H
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n/an/a 4.49E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038693
PNG
(CHEMBL3354860)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1OC(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-18-9-3-4-10-19(18)30(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H
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n/an/a 4.71E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038611
PNG
(CHEMBL3354868)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cc(Cl)cc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2NO2S/c22-15-9-16(23)11-17(10-15)27(26)21-18-6-2-1-4-13(18)8-19(20(21)25)14-5-3-7-24-12-14/h1-12,25H
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n/an/a 4.72E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038636
PNG
(CHEMBL3354854)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
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n/an/a 4.80E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038696
PNG
(CHEMBL3354863)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)18-9-3-4-10-19(18)29(28)21-16-8-2-1-6-14(16)12-17(20(21)27)15-7-5-11-26-13-15/h1-13,27H
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n/an/a 5.08E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038639
PNG
(CHEMBL3354856)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(F)cc1)-c1cccnc1
Show InChI InChI=1S/C21H14FNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
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n/an/a 5.55E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038692
PNG
(CHEMBL3354859)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(OC(F)(F)F)c1)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-3-8-17(12-16)30(28)21-18-9-2-1-5-14(18)11-19(20(21)27)15-6-4-10-26-13-15/h1-13,27H
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n/an/a 5.81E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038618
PNG
(CHEMBL3354870)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccs1)-c1cccnc1
Show InChI InChI=1S/C19H13NO2S2/c21-18-16(14-6-3-9-20-12-14)11-13-5-1-2-7-15(13)19(18)24(22)17-8-4-10-23-17/h1-12,21H
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n/an/a 6.16E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038694
PNG
(CHEMBL3354861)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(cc1)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)16-7-9-17(10-8-16)29(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
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n/an/a 6.19E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038612
PNG
(CHEMBL3354869)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(F)c(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13ClFNO2S/c22-18-11-15(7-8-19(18)23)27(26)21-16-6-2-1-4-13(16)10-17(20(21)25)14-5-3-9-24-12-14/h1-12,25H
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n/an/a 6.53E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038640
PNG
(CHEMBL3354857)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(F)c1)-c1cccnc1
Show InChI InChI=1S/C21H14FNO2S/c22-16-7-3-8-17(12-16)26(25)21-18-9-2-1-5-14(18)11-19(20(21)24)15-6-4-10-23-13-15/h1-13,24H
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n/an/a 6.55E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038695
PNG
(CHEMBL3354862)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO2S/c23-22(24,25)16-7-3-8-17(12-16)29(28)21-18-9-2-1-5-14(18)11-19(20(21)27)15-6-4-10-26-13-15/h1-13,27H
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n/an/a 6.67E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038629
PNG
(CHEMBL3354849)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C21H15NO2S/c23-20-19(16-8-6-12-22-14-16)13-15-7-4-5-11-18(15)21(20)25(24)17-9-2-1-3-10-17/h1-14,23H
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n/an/a 6.71E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038633
PNG
(CHEMBL3354851)
Show SMILES COc1cccc(c1)[S+]([O-])c1c(O)c(cc2ccccc12)-c1cccnc1
Show InChI InChI=1S/C22H17NO3S/c1-26-17-8-4-9-18(13-17)27(25)22-19-10-3-2-6-15(19)12-20(21(22)24)16-7-5-11-23-14-16/h2-14,24H,1H3
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n/an/a 7.32E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038643
PNG
(CHEMBL3354858)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(OC(F)(F)F)cc1)-c1cccnc1
Show InChI InChI=1S/C22H14F3NO3S/c23-22(24,25)29-16-7-9-17(10-8-16)30(28)21-18-6-2-1-4-14(18)12-19(20(21)27)15-5-3-11-26-13-15/h1-13,27H
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n/an/a 7.43E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038609
PNG
(CHEMBL3354866)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)c(Cl)c1)-c1cccnc1
Show InChI InChI=1S/C21H13Cl2NO2S/c22-18-8-7-15(11-19(18)23)27(26)21-16-6-2-1-4-13(16)10-17(20(21)25)14-5-3-9-24-12-14/h1-12,25H
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n/an/a 8.33E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038608
PNG
(CHEMBL3354865)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cccc(c1)C#N)-c1cccnc1
Show InChI InChI=1S/C22H14N2O2S/c23-13-15-5-3-8-18(11-15)27(26)22-19-9-2-1-6-16(19)12-20(21(22)25)17-7-4-10-24-14-17/h1-12,14,25H
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n/an/a 8.55E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038635
PNG
(CHEMBL3354853)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(Cl)cc1)-c1cccnc1
Show InChI InChI=1S/C21H14ClNO2S/c22-16-7-9-17(10-8-16)26(25)21-18-6-2-1-4-14(18)12-19(20(21)24)15-5-3-11-23-13-15/h1-13,24H
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n/an/a 8.95E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038610
PNG
(CHEMBL3354867)
Show SMILES Oc1c(cc2ccccc2c1[S+]([O-])c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccnc1
Show InChI InChI=1S/C23H13F6NO2S/c24-22(25,26)15-9-16(23(27,28)29)11-17(10-15)33(32)21-18-6-2-1-4-13(18)8-19(20(21)31)14-5-3-7-30-12-14/h1-12,31H
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n/an/a 9.35E+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 V79MZ cells using [3H]-11-deoxycorticosterone as substrate after 1 hr by HPLC analysis

Eur J Med Chem 89: 597-605 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.027
BindingDB Entry DOI: 10.7270/Q2X068N3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%