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Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with Target = 'Cytochrome P450 24A1' AND taxid = 10116   
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 24A1


(Rattus norvegicus)
BDBM50155480
PNG
(6-Methoxy-2-(2-methyl-benzyl)-3,4-dihydro-2H-napht...)
Show SMILES COc1ccc2C(=O)C(Cc3ccccc3C)CCc2c1
Show InChI InChI=1S/C19H20O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-10,12,16H,7-8,11H2,1-2H3
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n/an/a 900n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155470
PNG
(2-biphenyl-2-ylmethyl-6-hydroxy-3,4-dihydro-2H-nap...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccccc3-c3ccccc3)CCc2c1
Show InChI InChI=1S/C23H20O2/c24-20-12-13-22-18(15-20)10-11-19(23(22)25)14-17-8-4-5-9-21(17)16-6-2-1-3-7-16/h1-9,12-13,15,19,24H,10-11,14H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155470
PNG
(2-biphenyl-2-ylmethyl-6-hydroxy-3,4-dihydro-2H-nap...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccccc3-c3ccccc3)CCc2c1
Show InChI InChI=1S/C23H20O2/c24-20-12-13-22-18(15-20)10-11-19(23(22)25)14-17-8-4-5-9-21(17)16-6-2-1-3-7-16/h1-9,12-13,15,19,24H,10-11,14H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155471
PNG
(4-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylmet...)
Show SMILES COc1ccc2CC(Cc3ccc(O)cc3)CCc2c1
Show InChI InChI=1S/C18H20O2/c1-20-18-9-6-15-11-14(2-5-16(15)12-18)10-13-3-7-17(19)8-4-13/h3-4,6-9,12,14,19H,2,5,10-11H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155469
PNG
(2-(4-Hydroxy-benzyl)-6-methoxy-3,4-dihydro-2H-naph...)
Show SMILES COc1ccc2C(=O)C(Cc3ccc(O)cc3)CCc2c1
Show InChI InChI=1S/C18H18O3/c1-21-16-8-9-17-13(11-16)4-5-14(18(17)20)10-12-2-6-15(19)7-3-12/h2-3,6-9,11,14,19H,4-5,10H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155482
PNG
(2-(2,5-Bis-trifluoromethyl-benzyl)-6-methoxy-3,4-d...)
Show SMILES COc1ccc2C(=O)C(Cc3cc(ccc3C(F)(F)F)C(F)(F)F)CCc2c1
Show InChI InChI=1S/C20H16F6O2/c1-28-15-5-6-16-11(10-15)2-3-12(18(16)27)8-13-9-14(19(21,22)23)4-7-17(13)20(24,25)26/h4-7,9-10,12H,2-3,8H2,1H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155477
PNG
(6-(hydroxy-2-(4-hydroxybenzyl)-3,4-dihydro-2H-naph...)
Show SMILES Oc1ccc(CC2CCc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C17H16O3/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-8,10,13,18-19H,3-4,9H2
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n/an/a 8.90E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155466
PNG
(2-(4-Dimethylamino-benzyl)-6-hydroxy-3,4-dihydro-2...)
Show SMILES CN(C)c1ccc(CC2CCc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C19H21NO2/c1-20(2)16-7-3-13(4-8-16)11-15-6-5-14-12-17(21)9-10-18(14)19(15)22/h3-4,7-10,12,15,21H,5-6,11H2,1-2H3
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n/an/a 1.80E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
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 2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155479
PNG
(2-[1-(4-Hydroxy-phenyl)-meth-(E)-ylidene]-6-methox...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H16O3/c1-21-16-8-9-17-13(11-16)4-5-14(18(17)20)10-12-2-6-15(19)7-3-12/h2-3,6-11,19H,4-5H2,1H3/b14-10+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
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 2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155467
PNG
(6-Hydroxy-2-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2/CCc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C17H14O3/c18-14-5-1-11(2-6-14)9-13-4-3-12-10-15(19)7-8-16(12)17(13)20/h1-2,5-10,18-19H,3-4H2/b13-9+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155474
PNG
(2-Biphenyl-4-ylmethyl-6-hydroxy-3,4-dihydro-2H-nap...)
Show SMILES Oc1ccc2C(=O)C(Cc3ccc(cc3)-c3ccccc3)CCc2c1
Show InChI InChI=1S/C23H20O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-13,15,20,24H,10-11,14H2
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155472
PNG
(6-Methoxy-2-[1-o-tolyl-meth-(E)-ylidene]-3,4-dihyd...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1C
Show InChI InChI=1S/C19H18O2/c1-13-5-3-4-6-14(13)11-16-8-7-15-12-17(21-2)9-10-18(15)19(16)20/h3-6,9-12H,7-8H2,1-2H3/b16-11+
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n/an/a>2.00E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155473
PNG
(2-[1-(3-Dimethylamino-phenyl)-meth-(E)-ylidene]-6-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cccc(c1)N(C)C
Show InChI InChI=1S/C20H21NO2/c1-21(2)17-6-4-5-14(12-17)11-16-8-7-15-13-18(23-3)9-10-19(15)20(16)22/h4-6,9-13H,7-8H2,1-3H3/b16-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155478
PNG
(2-[1-Biphenyl-2-yl-meth-(E)-ylidene]-6-hydroxy-3,4...)
Show SMILES Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1-c1ccccc1
Show InChI InChI=1S/C23H18O2/c24-20-12-13-22-18(15-20)10-11-19(23(22)25)14-17-8-4-5-9-21(17)16-6-2-1-3-7-16/h1-9,12-15,24H,10-11H2/b19-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155475
PNG
(2-[1-Biphenyl-4-yl-meth-(E)-ylidene]-6-hydroxy-3,4...)
Show SMILES Oc1ccc2C(=O)\C(CCc2c1)=C\c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H18O2/c24-21-12-13-22-19(15-21)10-11-20(23(22)25)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,12-15,24H,10-11H2/b20-14+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155476
PNG
(2-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-6-...)
Show SMILES CN(C)c1ccc(\C=C2/CCc3cc(O)ccc3C2=O)cc1
Show InChI InChI=1S/C19H19NO2/c1-20(2)16-7-3-13(4-8-16)11-15-6-5-14-12-17(21)9-10-18(14)19(15)22/h3-4,7-12,21H,5-6H2,1-2H3/b15-11+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155481
PNG
(2-[1-(2,5-Bis-trifluoromethyl-phenyl)-meth-(E)-yli...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1cc(ccc1C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H14F6O2/c1-28-15-5-6-16-11(10-15)2-3-12(18(16)27)8-13-9-14(19(21,22)23)4-7-17(13)20(24,25)26/h4-10H,2-3H2,1H3/b12-8+
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n/an/a>1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Rattus norvegicus)
BDBM50155468
PNG
(2-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-6-methoxy-...)
Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccccc1Br
Show InChI InChI=1S/C18H15BrO2/c1-21-15-8-9-16-12(11-15)6-7-14(18(16)20)10-13-4-2-3-5-17(13)19/h2-5,8-11H,6-7H2,1H3/b14-10+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibitory activity against 25-hydroxyvitamin D3 24-hydroxylase of rat kidney mitochondria


Citation and Details
More data for this
Ligand-Target Pair