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PubMed code 25462231

Compile data set for download or QSAR
Found 85 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 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339668
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
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n/an/a 5n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038286
PNG
(CHEMBL3359961)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-3-1-2-14(10-17)12-26-16-6-4-15(5-7-16)18(25)11-24-9-8-23-13-24/h1-10,13H,11-12H2
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339667
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-3-1-2-14(8-16)12-28-17-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339669
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-nitrobenzyl)oxy]-...)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 20n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038285
PNG
(CHEMBL3359962)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C18H15N3O4/c22-18(11-20-9-8-19-13-20)15-4-6-17(7-5-15)25-12-14-2-1-3-16(10-14)21(23)24/h1-10,13H,11-12H2
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n/an/a 24n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339643
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-trifluoromethoxyb...)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-16-3-1-14(2-4-16)12-28-17-5-6-18-15(11-26-8-7-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 25n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038209
PNG
(CHEMBL3359963)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C19H15N3O2/c20-11-15-2-1-3-16(10-15)13-24-18-6-4-17(5-7-18)19(23)12-22-9-8-21-14-22/h1-10,14H,12-13H2
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339666
PNG
(7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 31n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339665
PNG
(7-[(3-Fluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 40n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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n/an/a 45n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339664
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-methylbenzyl)oxy]...)
Show SMILES Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O3/c1-15-3-2-4-16(9-15)13-25-18-5-6-19-17(12-23-8-7-22-14-23)10-21(24)26-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038294
PNG
(CHEMBL3359955)
Show SMILES CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-16(2)28-19-5-3-17(4-6-19)14-27-20-7-8-21-18(13-25-10-9-24-15-25)11-23(26)29-22(21)12-20/h3-12,15-16H,13-14H2,1-2H3
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038297
PNG
(CHEMBL3359952)
Show SMILES COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-3-15(9-17)13-26-18-5-6-19-16(12-23-8-7-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038290
PNG
(CHEMBL3359958)
Show SMILES COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O6/c1-27-20-8-15(9-21(28-2)23(20)29-3)13-30-17-4-5-18-16(12-25-7-6-24-14-25)10-22(26)31-19(18)11-17/h4-11,14H,12-13H2,1-3H3
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n/an/a 50n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339645
PNG
(7-[(3,4-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Show InChI InChI=1S/C20H14F2N2O3/c21-17-4-1-13(7-18(17)22)11-26-15-2-3-16-14(10-24-6-5-23-12-24)8-20(25)27-19(16)9-15/h1-9,12H,10-11H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038291
PNG
(CHEMBL3359957)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
Show InChI InChI=1S/C22H20N2O5/c1-26-19-6-3-15(9-21(19)27-2)13-28-17-4-5-18-16(12-24-8-7-23-14-24)10-22(25)29-20(18)11-17/h3-11,14H,12-13H2,1-2H3
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n/an/a 57n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038295
PNG
(CHEMBL3359954)
Show SMILES CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-2-11-27-19-5-3-17(4-6-19)15-28-20-7-8-21-18(14-25-10-9-24-16-25)12-23(26)29-22(21)13-20/h3-10,12-13,16H,2,11,14-15H2,1H3
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n/an/a 63n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM9485
PNG
(7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chrome...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 72n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50028166
PNG
(CHEMBL934 | METYRAPONE | US9138393, Metyrapone | U...)
Show SMILES CC(C)(C(=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
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n/an/a 72n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038295
PNG
(CHEMBL3359954)
Show SMILES CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-2-11-27-19-5-3-17(4-6-19)15-28-20-7-8-21-18(14-25-10-9-24-16-25)12-23(26)29-22(21)13-20/h3-10,12-13,16H,2,11,14-15H2,1H3
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n/an/a 77n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339642
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-methoxybenzyl)oxy...)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038294
PNG
(CHEMBL3359955)
Show SMILES CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-16(2)28-19-5-3-17(4-6-19)14-27-20-7-8-21-18(13-25-10-9-24-15-25)11-23(26)29-22(21)12-20/h3-12,15-16H,13-14H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038291
PNG
(CHEMBL3359957)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
Show InChI InChI=1S/C22H20N2O5/c1-26-19-6-3-15(9-21(19)27-2)13-28-17-4-5-18-16(12-24-8-7-23-14-24)10-22(25)29-20(18)11-17/h3-11,14H,12-13H2,1-2H3
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n/an/a 82n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038296
PNG
(CHEMBL3359953)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-8-7-21-13-22)18-6-5-17(10-19(18)28-20)27-12-14-1-3-16(4-2-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 86n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339645
PNG
(7-[(3,4-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Show InChI InChI=1S/C20H14F2N2O3/c21-17-4-1-13(7-18(17)22)11-26-15-2-3-16-14(10-24-6-5-23-12-24)8-20(25)27-19(16)9-15/h1-9,12H,10-11H2
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339669
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-nitrobenzyl)oxy]-...)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50339641
PNG
(7-[(4-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-14(2-4-16)12-25-17-5-6-18-15(11-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 100n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339666
PNG
(7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 101n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038208
PNG
(CHEMBL3359964)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc(cc2)C(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2
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n/an/a 109n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038296
PNG
(CHEMBL3359953)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-8-7-21-13-22)18-6-5-17(10-19(18)28-20)27-12-14-1-3-16(4-2-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 111n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339665
PNG
(7-[(3-Fluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 113n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339664
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-methylbenzyl)oxy]...)
Show SMILES Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O3/c1-15-3-2-4-16(9-15)13-25-18-5-6-19-17(12-23-8-7-22-14-23)10-21(24)26-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 114n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339642
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-methoxybenzyl)oxy...)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 124n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339668
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
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n/an/a 125n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038297
PNG
(CHEMBL3359952)
Show SMILES COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-3-15(9-17)13-26-18-5-6-19-16(12-23-8-7-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339642
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-methoxybenzyl)oxy...)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-15(3-5-17)13-26-18-6-7-19-16(12-23-9-8-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 127n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339666
PNG
(7-[(3-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 130n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339669
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-nitrobenzyl)oxy]-...)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-7-6-21-13-22)18-5-4-17(10-19(18)28-20)27-12-14-2-1-3-16(8-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 141n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038290
PNG
(CHEMBL3359958)
Show SMILES COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O6/c1-27-20-8-15(9-21(28-2)23(20)29-3)13-30-17-4-5-18-16(12-25-7-6-24-14-25)10-22(26)31-19(18)11-17/h4-11,14H,12-13H2,1-3H3
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n/an/a 147n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038288
PNG
(CHEMBL3359960)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-11-10-19-14-20)16-6-8-17(9-7-16)22-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 149n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM9485
PNG
(7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chrome...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339667
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-3-1-2-14(8-16)12-28-17-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 150n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339645
PNG
(7-[(3,4-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
Show InChI InChI=1S/C20H14F2N2O3/c21-17-4-1-13(7-18(17)22)11-26-15-2-3-16-14(10-24-6-5-23-12-24)8-20(25)27-19(16)9-15/h1-9,12H,10-11H2
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n/an/a 165n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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n/an/a 169n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339641
PNG
(7-[(4-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-14(2-4-16)12-25-17-5-6-18-15(11-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 178n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038285
PNG
(CHEMBL3359962)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C18H15N3O4/c22-18(11-20-9-8-19-13-20)15-4-6-17(7-5-15)25-12-14-2-1-3-16(10-14)21(23)24/h1-10,13H,11-12H2
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n/an/a 192n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339644
PNG
(7-[(3,5-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmet...)
Show SMILES Fc1cc(F)cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H14F2N2O3/c21-15-5-13(6-16(22)8-15)11-26-17-1-2-18-14(10-24-4-3-23-12-24)7-20(25)27-19(18)9-17/h1-9,12H,10-11H2
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339665
PNG
(7-[(3-Fluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Fc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(8-16)12-25-17-4-5-18-15(11-23-7-6-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339641
PNG
(7-[(4-Chlorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)...)
Show SMILES Clc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15ClN2O3/c21-16-3-1-14(2-4-16)12-25-17-5-6-18-15(11-23-8-7-22-13-23)9-20(24)26-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 200n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339668
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethoxy...)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-17-3-1-2-14(8-17)12-28-16-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-16/h1-10,13H,11-12H2
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n/an/a 207n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038209
PNG
(CHEMBL3359963)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C19H15N3O2/c20-11-15-2-1-3-16(10-15)13-24-18-6-4-17(5-7-18)19(23)12-22-9-8-21-14-22/h1-10,14H,12-13H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339667
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-{[3-(trifluoromethyl)...)
Show SMILES FC(F)(F)c1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H15F3N2O3/c22-21(23,24)16-3-1-2-14(8-16)12-28-17-4-5-18-15(11-26-7-6-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339643
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-trifluoromethoxyb...)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-16-3-1-14(2-4-16)12-28-17-5-6-18-15(11-26-8-7-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50339664
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(3-methylbenzyl)oxy]...)
Show SMILES Cc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O3/c1-15-3-2-4-16(9-15)13-25-18-5-6-19-17(12-23-8-7-22-14-23)10-21(24)26-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 250n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038292
PNG
(CHEMBL3359956)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1
Show InChI InChI=1S/C21H18N2O3/c24-21-12-17(14-23-10-9-22-15-23)19-7-6-18(13-20(19)26-21)25-11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,15H,8,11,14H2
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n/an/a 258n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM9485
PNG
(7-(benzyloxy)-4-(1H-imidazol-1-ylmethyl)-2H-chrome...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCc3ccccc3)cc2o1
Show InChI InChI=1S/C20H16N2O3/c23-20-10-16(12-22-9-8-21-14-22)18-7-6-17(11-19(18)25-20)24-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 289n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038290
PNG
(CHEMBL3359958)
Show SMILES COc1cc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H22N2O6/c1-27-20-8-15(9-21(28-2)23(20)29-3)13-30-17-4-5-18-16(12-25-7-6-24-14-25)10-22(26)31-19(18)11-17/h4-11,14H,12-13H2,1-3H3
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n/an/a 349n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038296
PNG
(CHEMBL3359953)
Show SMILES [O-][N+](=O)c1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C20H15N3O5/c24-20-9-15(11-22-8-7-21-13-22)18-6-5-17(10-19(18)28-20)27-12-14-1-3-16(4-2-14)23(25)26/h1-10,13H,11-12H2
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n/an/a 387n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038291
PNG
(CHEMBL3359957)
Show SMILES COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
Show InChI InChI=1S/C22H20N2O5/c1-26-19-6-3-15(9-21(19)27-2)13-28-17-4-5-18-16(12-24-8-7-23-14-24)10-22(25)29-20(18)11-17/h3-11,14H,12-13H2,1-2H3
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n/an/a 445n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038295
PNG
(CHEMBL3359954)
Show SMILES CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-2-11-27-19-5-3-17(4-6-19)15-28-20-7-8-21-18(14-25-10-9-24-16-25)12-23(26)29-22(21)13-20/h3-10,12-13,16H,2,11,14-15H2,1H3
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n/an/a 477n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50339643
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-[(4-trifluoromethoxyb...)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C21H15F3N2O4/c22-21(23,24)30-16-3-1-14(2-4-16)12-28-17-5-6-18-15(11-26-8-7-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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n/an/a 481n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038286
PNG
(CHEMBL3359961)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-3-1-2-14(10-17)12-26-16-6-4-15(5-7-16)18(25)11-24-9-8-23-13-24/h1-10,13H,11-12H2
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n/an/a 497n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038289
PNG
(CHEMBL3359959)
Show SMILES O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2
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n/an/a>500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038289
PNG
(CHEMBL3359959)
Show SMILES O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2
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n/an/a>500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM50038298
PNG
(CHEMBL3359965)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(11-20-9-8-19-13-20)15-3-5-16(6-4-15)22-12-14-2-1-7-18-10-14/h1-10,13H,11-12H2
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n/an/a 518n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038297
PNG
(CHEMBL3359952)
Show SMILES COc1cccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)c1
Show InChI InChI=1S/C21H18N2O4/c1-25-17-4-2-3-15(9-17)13-26-18-5-6-19-16(12-23-8-7-22-14-23)10-21(24)27-20(19)11-18/h2-11,14H,12-13H2,1H3
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n/an/a 549n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038294
PNG
(CHEMBL3359955)
Show SMILES CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
Show InChI InChI=1S/C23H22N2O4/c1-16(2)28-19-5-3-17(4-6-19)14-27-20-7-8-21-18(13-25-10-9-24-15-25)11-23(26)29-22(21)12-20/h3-12,15-16H,13-14H2,1-2H3
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n/an/a 584n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038288
PNG
(CHEMBL3359960)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-11-10-19-14-20)16-6-8-17(9-7-16)22-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 588n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038292
PNG
(CHEMBL3359956)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1
Show InChI InChI=1S/C21H18N2O3/c24-21-12-17(14-23-10-9-22-15-23)19-7-6-18(13-20(19)26-21)25-11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,15H,8,11,14H2
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n/an/a 639n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038208
PNG
(CHEMBL3359964)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc(cc2)C(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2
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n/an/a 669n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038292
PNG
(CHEMBL3359956)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(OCCc3ccccc3)cc2o1
Show InChI InChI=1S/C21H18N2O3/c24-21-12-17(14-23-10-9-22-15-23)19-7-6-18(13-20(19)26-21)25-11-8-16-4-2-1-3-5-16/h1-7,9-10,12-13,15H,8,11,14H2
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n/an/a 899n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B1, mitochondrial


(Homo sapiens (Human))		BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 933n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B1 expressed in hamster V79MZh11B1 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50038298
PNG
(CHEMBL3359965)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(11-20-9-8-19-13-20)15-3-5-16(6-4-15)22-12-14-2-1-7-18-10-14/h1-10,13H,11-12H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM9475
PNG
(4-(1H-Imidazol-1-ylmethyl)-7-phenoxy-2H-chromen-2-...)
Show SMILES O=c1cc(Cn2ccnc2)c2ccc(Oc3ccccc3)cc2o1
Show InChI InChI=1S/C19H14N2O3/c22-19-10-14(12-21-9-8-20-13-21)17-7-6-16(11-18(17)24-19)23-15-4-2-1-3-5-15/h1-11,13H,12H2
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n/an/a 2.19E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2 expressed in hamster V79MZh11B2 cells using [1,2-3H]-11-deoxycorticosterone substrate incubated for 25 mins by HPLC metho...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038285
PNG
(CHEMBL3359962)
Show SMILES [O-][N+](=O)c1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C18H15N3O4/c22-18(11-20-9-8-19-13-20)15-4-6-17(7-5-15)25-12-14-2-1-3-16(10-14)21(23)24/h1-10,13H,11-12H2
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n/an/a 3.71E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038288
PNG
(CHEMBL3359960)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-11-10-19-14-20)16-6-8-17(9-7-16)22-13-15-4-2-1-3-5-15/h1-11,14H,12-13H2
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n/an/a 4.49E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase


(Homo sapiens (Human))		BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|
Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human CYP17 expressed in Escherichia coli using [3H]-progesterone substrate pre-incubated for 5 mins in presence of rat P450 reductase ...

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038209
PNG
(CHEMBL3359963)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccc(c2)C#N)cc1
Show InChI InChI=1S/C19H15N3O2/c20-11-15-2-1-3-16(10-15)13-24-18-6-4-17(5-7-18)19(23)12-22-9-8-21-14-22/h1-10,14H,12-13H2
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n/an/a 4.57E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038286
PNG
(CHEMBL3359961)
Show SMILES FC(F)(F)Oc1cccc(COc2ccc(cc2)C(=O)Cn2ccnc2)c1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-3-1-2-14(10-17)12-26-16-6-4-15(5-7-16)18(25)11-24-9-8-23-13-24/h1-10,13H,11-12H2
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n/an/a 5.86E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038208
PNG
(CHEMBL3359964)
Show SMILES FC(F)(F)Oc1ccc(COc2ccc(cc2)C(=O)Cn2ccnc2)cc1
Show InChI InChI=1S/C19H15F3N2O3/c20-19(21,22)27-17-5-1-14(2-6-17)12-26-16-7-3-15(4-8-16)18(25)11-24-10-9-23-13-24/h1-10,13H,11-12H2
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038289
PNG
(CHEMBL3359959)
Show SMILES O=C(Cn1ccnc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C18H16N2O2/c21-18(12-20-10-9-19-14-20)16-7-4-8-17(11-16)22-13-15-5-2-1-3-6-15/h1-11,14H,12-13H2
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n/an/a 1.75E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))		BDBM50038298
PNG
(CHEMBL3359965)
Show SMILES O=C(Cn1ccnc1)c1ccc(OCc2cccnc2)cc1
Show InChI InChI=1S/C17H15N3O2/c21-17(11-20-9-8-19-13-20)15-3-5-16(6-4-15)22-12-14-2-1-7-18-10-14/h1-10,13H,11-12H2
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n/an/a 3.18E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human placental microsomal CYP19 using [1beta-3H]androstenedione substrate pre-incubated for 5 mins by scintillation counting method

Eur J Med Chem 89: 106-14 (2014)


Article DOI: 10.1016/j.ejmech.2014.10.021
BindingDB Entry DOI: 10.7270/Q2B56MC3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%