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PubMed code 20594862

Compile data set for download or QSAR
Found 13 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 24A1


(Homo sapiens (Human))
BDBM50370925
PNG
(CHEMBL1627233)
Show SMILES C[C@H](CC=S(N)(=O)c1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,17,20,24,26-28,31-32H,2,7-8,13-16,18-19H2,1,3H3,(H2,30,33)/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1
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PubMed
n/an/a 7.40n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1 expressed in chinese hamster V79 cells


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1
Show InChI InChI=1S/C24H20ClN3O/c25-22-12-10-19(11-13-22)18-6-8-21(9-7-18)24(29)27-16-23(28-15-14-26-17-28)20-4-2-1-3-5-20/h1-15,17,23H,16H2,(H,27,29)/t23-/m0/s1
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n/an/a 15.1n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(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 126n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of CYP24A1 in human epidermal keratinocytes


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322357
PNG
((E)-4-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)-4-sty...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C26H23N3O/c30-26(24-15-13-22(14-16-24)12-11-21-7-3-1-4-8-21)28-19-25(29-18-17-27-20-29)23-9-5-2-6-10-23/h1-18,20,25H,19H2,(H,28,30)/b12-11+
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n/an/a 300n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(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 312n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1 expressed in chinese hamster V79 cells


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(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 520n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322353
PNG
(CHEMBL1171662 | N2-[2-(4-Fluorophenyl)-2-(1H-1-imi...)
Show SMILES Fc1ccc(cc1)C(CNC(=O)c1cc2ccccc2o1)n1ccnc1
Show InChI InChI=1S/C20H16FN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322350
PNG
(CHEMBL1171489 | N2-(2-Phenyl-2-(1H-1-imidazoyl)eth...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1cc2ccccc2o1
Show InChI InChI=1S/C20H17N3O2/c24-20(19-12-16-8-4-5-9-18(16)25-19)22-13-17(23-11-10-21-14-23)15-6-2-1-3-7-15/h1-12,14,17H,13H2,(H,22,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322352
PNG
(CHEMBL1171660 | N2-[2-Phenyl-2-(1H-1-imidazoyl)eth...)
Show SMILES [O-][N+](=O)c1ccc2oc(cc2c1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C20H16N4O4/c25-20(19-11-15-10-16(24(26)27)6-7-18(15)28-19)22-12-17(23-9-8-21-13-23)14-4-2-1-3-5-14/h1-11,13,17H,12H2,(H,22,25)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322354
PNG
(CHEMBL1171105 | N2-[2-(4-Chlorophenyl)-2-(1H-1-imi...)
Show SMILES Clc1ccc(cc1)C(CNC(=O)c1cc2ccccc2o1)n1ccnc1
Show InChI InChI=1S/C20H16ClN3O2/c21-16-7-5-14(6-8-16)17(24-10-9-22-13-24)12-23-20(25)19-11-15-3-1-2-4-18(15)26-19/h1-11,13,17H,12H2,(H,23,25)
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n/an/a 1.06E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322355
PNG
(4-Bromo-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)benz...)
Show SMILES Brc1ccc(cc1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C18H16BrN3O/c19-16-8-6-15(7-9-16)18(23)21-12-17(22-11-10-20-13-22)14-4-2-1-3-5-14/h1-11,13,17H,12H2,(H,21,23)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322351
PNG
(CHEMBL1171659 | N2-[2-Phenyl-2-(1H-1-imidazoyl)eth...)
Show SMILES COc1ccc2cc(oc2c1)C(=O)NCC(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C21H19N3O3/c1-26-17-8-7-16-11-20(27-19(16)12-17)21(25)23-13-18(24-10-9-22-14-24)15-5-3-2-4-6-15/h2-12,14,18H,13H2,1H3,(H,23,25)
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n/an/a 3.69E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
Cytochrome P450 24A1


(Homo sapiens (Human))
BDBM50322356
PNG
(4-Benzyl-N-(2-(1H-imidazol-1-yl)-2-phenylethyl)ben...)
Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C25H23N3O/c29-25(23-13-11-21(12-14-23)17-20-7-3-1-4-8-20)27-18-24(28-16-15-26-19-28)22-9-5-2-6-10-22/h1-16,19,24H,17-18H2,(H,27,29)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP24A1 expressed in chinese hamster V79 cells using [3H-1-beta]calcitriol after 60 mins by scintillation counting


Bioorg Med Chem 18: 4939-46 (2010)


Article DOI: 10.1016/j.bmc.2010.06.011
BindingDB Entry DOI: 10.7270/Q2HT2Q91
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%