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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 11B1' AND taxid = 9913   
Target
(Institution)
LigandTarget
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


(Bos taurus)
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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580n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland 11beta-hydroxylase assessed as inhibition of [14C]-deoxycorticosterone hydroxylation


J Med Chem 20: 762-6 (1977)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50004441
PNG
((2R,4R)-ketoconazole | 1-acetyl-4-(4-{[(2R,4R)-2-(...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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 135n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450


J Med Chem 35: 2818-25 (1992)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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 152n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450


J Med Chem 35: 2818-25 (1992)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50004442
PNG
((2S,4S)-ketoconazole | 1-acetyl-4-(4-{[(2S,4S)-2-(...)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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+/m0/s1
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n/an/a 247n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450


J Med Chem 35: 2818-25 (1992)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM31768
PNG
(CHEMBL295698 | Ketoconazole | Nizoral | Panfungol)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1
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 608n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of Corticoid 11-beta-hydroxylase cytochrome P450


J Med Chem 35: 2818-25 (1992)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028169
PNG
(3-(1,1-Dimethyl-2-phenyl-ethyl)-pyridine | CHEMBL4...)
Show SMILES CC(C)(Cc1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H17N/c1-15(2,14-9-6-10-16-12-14)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028171
PNG
(2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol | CHE...)
Show SMILES CC(C)(C(O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H17NO/c1-15(2,13-9-6-10-16-11-13)14(17)12-7-4-3-5-8-12/h3-11,14,17H,1-2H3
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n/an/a 1.53E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028163
PNG
(3-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridine ...)
Show SMILES CC(C)(C(Cl)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H16ClN/c1-15(2,13-9-6-10-17-11-13)14(16)12-7-4-3-5-8-12/h3-11,14H,1-2H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028165
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propane | CHEMBL54171)
Show SMILES CC(C)(Cc1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H16N2/c1-14(2,13-6-4-8-16-11-13)9-12-5-3-7-15-10-12/h3-8,10-11H,9H2,1-2H3
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n/an/a 2.64E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028170
PNG
(2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-one | CH...)
Show SMILES CC(C)(C(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C15H15NO/c1-15(2,13-9-6-10-16-11-13)14(17)12-7-4-3-5-8-12/h3-11H,1-2H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028158
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propan-1-one oxime | ...)
Show SMILES CC(C)(C(N=O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H15N3O/c1-14(2,12-6-4-8-16-10-12)13(17-18)11-5-3-7-15-9-11/h3-10,13H,1-2H3
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n/an/a 4.78E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028168
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propyliodide | CHEMBL...)
Show SMILES CC(C)(C(I)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H15IN2/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,1-2H3
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n/an/a 5.36E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028160
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propan-1-ol | 2-methy...)
Show SMILES CC(C)(C(O)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H16N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10,13,17H,1-2H3
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n/an/a 7.05E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028167
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propylchloride | CHEM...)
Show SMILES CC(C)(C(Cl)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H15ClN2/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,1-2H3
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n/an/a 7.25E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028161
PNG
(2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane | CH...)
Show SMILES COC(c1cccnc1)C(C)(C)c1cccnc1
Show InChI InChI=1S/C15H18N2O/c1-15(2,13-7-5-9-17-11-13)14(18-3)12-6-4-8-16-10-12/h4-11,14H,1-3H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028159
PNG
(1-Phenyl-2-pyridin-3-yl-propan-1-one | CHEMBL53248)
Show SMILES CC(C(=O)c1ccccc1)c1cccnc1
Show InChI InChI=1S/C14H13NO/c1-11(13-8-5-9-15-10-13)14(16)12-6-3-2-4-7-12/h2-11H,1H3
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n/an/a 7.72E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
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 7.83E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028164
PNG
(CHEMBL57308 | N-(2-Methyl-1,2-di-pyridin-3-yl-prop...)
Show SMILES CC(=O)NC(c1cccnc1)C(C)(C)c1cccnc1
Show InChI InChI=1S/C16H19N3O/c1-12(20)19-15(13-6-4-8-17-10-13)16(2,3)14-7-5-9-18-11-14/h4-11,15H,1-3H3,(H,19,20)
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n/an/a 8.75E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028162
PNG
(1-Phenyl-2-pyridin-3-yl-ethanone | CHEMBL57058)
Show SMILES O=C(Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C13H11NO/c15-13(12-6-2-1-3-7-12)9-11-5-4-8-14-10-11/h1-8,10H,9H2
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n/an/a 1.58E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair
Cytochrome P450 11B1


(Bos taurus)
BDBM50028157
PNG
(2-Methyl-1,2-di-pyridin-3-yl-propylamine | CHEMBL5...)
Show SMILES CC(C)(C(N)c1cccnc1)c1cccnc1
Show InChI InChI=1S/C14H17N3/c1-14(2,12-6-4-8-17-10-12)13(15)11-5-3-7-16-9-11/h3-10,13H,15H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of bovine adrenal cortical mitochondrial 11 beta-hydroxylase


J Med Chem 27: 15-9 (1984)

More data for this
Ligand-Target Pair