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Compile Data Set for Download or QSAR

Found 37 hits from Cancer Research Campaign Centre for Cancer Therapeutics   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052668
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052669
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-4-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-3-5-20-6-4-16)22-17(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3
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n/an/a 2.70n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052668
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 3.30n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052669
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-4-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-3-5-20-6-4-16)22-17(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3
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n/an/a 8.80n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052671
PNG
(Adamantane-1-carboxylic acid pyridin-4-ylmethyl es...)
Show SMILES O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2
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n/an/a 18n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(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
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 26n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052671
PNG
(Adamantane-1-carboxylic acid pyridin-4-ylmethyl es...)
Show SMILES O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2
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n/an/a 43n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(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
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 65n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052672
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 74n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052666
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)22-17(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 92n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052667
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-3-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052664
PNG
(Adamantane-1-carboxylic acid ((S)-1-pyridin-4-yl-e...)
Show SMILES C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H24N2O/c1-12(16-2-4-19-5-3-16)20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052673
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-3-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 230n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052672
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052666
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)22-17(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 390n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052674
PNG
(Adamantane-1-carboxylic acid ((R)-1-pyridin-4-yl-e...)
Show SMILES C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H24N2O/c1-12(16-2-4-19-5-3-16)20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052670
PNG
(Adamantane-1-carboxylic acid pyridin-3-ylmethyl es...)
Show SMILES O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2
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n/an/a 460n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052667
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-3-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 580n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052671
PNG
(Adamantane-1-carboxylic acid pyridin-4-ylmethyl es...)
Show SMILES O=C(OCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2
PDB
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n/an/a 580n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052664
PNG
(Adamantane-1-carboxylic acid ((S)-1-pyridin-4-yl-e...)
Show SMILES C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H24N2O/c1-12(16-2-4-19-5-3-16)20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 820n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052673
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-3-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 840n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052670
PNG
(Adamantane-1-carboxylic acid pyridin-3-ylmethyl es...)
Show SMILES O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052675
PNG
(Adamantane-1-carboxylic acid (pyridin-4-ylmethyl)-...)
Show SMILES O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2,(H,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052675
PNG
(Adamantane-1-carboxylic acid (pyridin-4-ylmethyl)-...)
Show SMILES O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2,(H,19,20)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052674
PNG
(Adamantane-1-carboxylic acid ((R)-1-pyridin-4-yl-e...)
Show SMILES C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H24N2O/c1-12(16-2-4-19-5-3-16)20-17(21)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3,(H,20,21)/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052665
PNG
(Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-...)
Show SMILES O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052673
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-3-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 4.60E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052668
PNG
(Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-et...)
Show SMILES C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m0/s1
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n/an/a 5.60E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052675
PNG
(Adamantane-1-carboxylic acid (pyridin-4-ylmethyl)-...)
Show SMILES O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-1-3-18-4-2-12)17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15H,5-11H2,(H,19,20)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052670
PNG
(Adamantane-1-carboxylic acid pyridin-3-ylmethyl es...)
Show SMILES O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H21NO2/c19-16(20-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052672
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-2-4-19-5-3-16)21-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,12-15H,6-11H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(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
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 1.60E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052665
PNG
(Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-...)
Show SMILES O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of C17,20-lyase enzyme, cytochrome P450 17A1 in Human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052669
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-4-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-3-5-20-6-4-16)22-17(21)19-10-13-7-14(11-19)9-15(8-13)12-19/h3-6,13-15H,7-12H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052667
PNG
(Adamantane-1-carboxylic acid (R)-1-pyridin-3-yl-et...)
Show SMILES C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C18H23NO2/c1-12(16-3-2-4-19-11-16)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h2-4,11-15H,5-10H2,1H3/t12-,13?,14?,15?,18?/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Aromatase (CYP19)


(Homo sapiens (human))
BDBM50052666
PNG
(Adamantane-1-carboxylic acid 1-methyl-1-pyridin-3-...)
Show SMILES CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1
Show InChI InChI=1S/C19H25NO2/c1-18(2,16-4-3-5-20-12-16)22-17(21)19-9-13-6-14(10-19)8-15(7-13)11-19/h3-5,12-15H,6-11H2,1-2H3
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n/an/a 5.10E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of Cytochrome P450 19A1 in Human placental microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Homo sapiens (human))
BDBM50052665
PNG
(Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-...)
Show SMILES O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Cancer Research Campaign Centre for Cancer Therapeutics

Curated by ChEMBL


Assay Description
Inhibition of 17-alpha-hydroxylase enzyme, cytochrome P450 17A1 of human testicular microsomes


J Med Chem 39: 3319-23 (1996)


Article DOI: 10.1021/jm950749y
BindingDB Entry DOI: 10.7270/Q2KK99V3
More data for this
Ligand-Target Pair