Found 745 hits with Last Name = 'brancale' and Initial = 'a' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023359
(CHEMBL3329778)Show SMILES CC(C)(C)C(=O)C(=C\c1ccc(\C=C\c2ccccc2)cc1)\n1ccnc1 Show InChI InChI=1S/C24H24N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-18H,1-3H3/b10-9+,22-17- | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023348
(CHEMBL3329769)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1 Show InChI InChI=1S/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023349
(CHEMBL3329770)Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023355
(CHEMBL3329774)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C27H32N2O4/c1-27(2,3)25(33-26(30)29-15-14-28-19-29)13-12-21-8-6-20(7-9-21)10-11-22-16-23(31-4)18-24(17-22)32-5/h6-11,14-19,25H,12-13H2,1-5H3/b11-10+ | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 after 6 hrs by Lineweaver-Burk plot analysis |
Bioorg Med Chem Lett 21: 2515-20 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.059
BindingDB Entry DOI: 10.7270/Q23R0T59 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023359
(CHEMBL3329778)Show SMILES CC(C)(C)C(=O)C(=C\c1ccc(\C=C\c2ccccc2)cc1)\n1ccnc1 Show InChI InChI=1S/C24H24N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-18H,1-3H3/b10-9+,22-17- | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027700
(CHEMBL3344395)Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1 Show InChI InChI=1S/C25H27N3O2/c1-29-22-16-20(17-23(18-22)30-2)8-9-21-6-5-7-25-24(21)10-14-28(25)13-4-3-12-27-15-11-26-19-27/h5-11,14-19H,3-4,12-13H2,1-2H3/b9-8+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027702
(CHEMBL3344394)Show InChI InChI=1S/C23H23N3/c1-2-7-20(8-3-1)11-12-21-9-6-10-23-22(21)13-17-26(23)16-5-4-15-25-18-14-24-19-25/h1-3,6-14,17-19H,4-5,15-16H2/b12-11+ | PDB
Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
Uridine 5'-monophosphate synthase
(Homo sapiens (Human)) | BDBM50459997
(47599 | CHEBI:90284 | Pirazofurin | Pyrazofurin)Show SMILES NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O Show InChI InChI=1S/C9H13N3O6/c10-9(17)4-6(15)3(11-12-4)8-7(16)5(14)2(1-13)18-8/h2,5,7-8,13-16H,1H2,(H2,10,17)(H,11,12)/t2-,5-,7-,8+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human ODCase |
Bioorg Med Chem 26: 551-565 (2018)
Article DOI: 10.1016/j.bmc.2017.11.037
BindingDB Entry DOI: 10.7270/Q2639SBX |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027700
(CHEMBL3344395)Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCCn4ccnc4)ccc23)c1 Show InChI InChI=1S/C25H27N3O2/c1-29-22-16-20(17-23(18-22)30-2)8-9-21-6-5-7-25-24(21)10-14-28(25)13-4-3-12-27-15-11-26-19-27/h5-11,14-19H,3-4,12-13H2,1-2H3/b9-8+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023346
(CHEMBL3329767)Show SMILES Fc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C26H22FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-17,19,25H,18H2,(H,29,31)/b7-6+ | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023363
(CHEMBL3360784)Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-n1ccnc1 |r| Show InChI InChI=1S/C25H36N2O2/c1-17(15-27-12-11-26-16-27)21-8-9-22-20(5-4-10-25(21,22)3)7-6-19-13-23(28)18(2)24(29)14-19/h6-7,11-12,16-17,21-24,28-29H,2,4-5,8-10,13-15H2,1,3H3/b20-7+/t17-,21-,22+,23-,24-,25-/m1/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027682
(CHEMBL3344393)Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCn4ccnc4)ccc23)c1 Show InChI InChI=1S/C24H25N3O2/c1-28-21-15-19(16-22(17-21)29-2)7-8-20-5-3-6-24-23(20)9-13-27(24)12-4-11-26-14-10-25-18-26/h3,5-10,13-18H,4,11-12H2,1-2H3/b8-7+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023347
(CHEMBL3329768)Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027694
(CHEMBL3344397)Show InChI InChI=1S/C23H23N3/c1-2-6-20(7-3-1)8-9-21-10-11-23-22(18-21)12-16-26(23)15-5-4-14-25-17-13-24-19-25/h1-3,6-13,16-19H,4-5,14-15H2/b9-8+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027702
(CHEMBL3344394)Show InChI InChI=1S/C23H23N3/c1-2-7-20(8-3-1)11-12-21-9-6-10-23-22(21)13-17-26(23)16-5-4-15-25-18-14-24-19-25/h1-3,6-14,17-19H,4-5,15-16H2/b12-11+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023348
(CHEMBL3329769)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)c1 Show InChI InChI=1S/C28H27N3O3/c1-33-25-16-22(17-26(18-25)34-2)9-8-21-10-12-24(13-11-21)28(32)30-19-27(31-15-14-29-20-31)23-6-4-3-5-7-23/h3-18,20,27H,19H2,1-2H3,(H,30,32)/b9-8+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027683
(CHEMBL3344392)Show InChI InChI=1S/C22H21N3/c1-2-6-19(7-3-1)10-11-20-8-4-9-22-21(20)12-16-25(22)15-5-14-24-17-13-23-18-24/h1-4,6-13,16-18H,5,14-15H2/b11-10+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50322357
((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+ | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027682
(CHEMBL3344393)Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCn4ccnc4)ccc23)c1 Show InChI InChI=1S/C24H25N3O2/c1-28-21-15-19(16-22(17-21)29-2)7-8-20-5-3-6-24-23(20)9-13-27(24)12-4-11-26-14-10-25-18-26/h3,5-10,13-18H,4,11-12H2,1-2H3/b8-7+ | PDB
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| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023355
(CHEMBL3329774)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OC(=O)n3ccnc3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C27H32N2O4/c1-27(2,3)25(33-26(30)29-15-14-28-19-29)13-12-21-8-6-20(7-9-21)10-11-22-16-23(31-4)18-24(17-22)32-5/h6-11,14-19,25H,12-13H2,1-5H3/b11-10+ | KEGG
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027683
(CHEMBL3344392)Show InChI InChI=1S/C22H21N3/c1-2-6-19(7-3-1)10-11-20-8-4-9-22-21(20)12-16-25(22)15-5-14-24-17-13-23-18-24/h1-4,6-13,16-18H,5,14-15H2/b11-10+ | KEGG
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| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM31768
(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 | PDB
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| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023350
(CHEMBL3329771)Show SMILES Fc1ccc(CCc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C26H24FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-5,8-17,19,25H,6-7,18H2,(H,29,31) | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027694
(CHEMBL3344397)Show InChI InChI=1S/C23H23N3/c1-2-6-20(7-3-1)8-9-21-10-11-23-22(18-21)12-16-26(23)15-5-4-14-25-17-13-24-19-25/h1-3,6-13,16-19H,4-5,14-15H2/b9-8+ | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023360
(CHEMBL3329779)Show SMILES CC(C)(C)C(=O)C(Cc1ccc(CCc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C24H28N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-8,11-16,18,22H,9-10,17H2,1-3H3 | KEGG
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027699
(CHEMBL3344396)Show InChI InChI=1S/C22H21N3/c1-2-5-19(6-3-1)7-8-20-9-10-22-21(17-20)11-15-25(22)14-4-13-24-16-12-23-18-24/h1-3,5-12,15-18H,4,13-14H2/b8-7+ | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023362
(CHEMBL3360783)Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCOS(=O)(=O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C31H44O4S/c1-22-9-15-28(16-10-22)36(33,34)35-20-6-7-24(3)29-17-18-30-25(8-5-19-31(29,30)4)12-13-26-21-27(32)14-11-23(26)2/h9-10,12-13,15-16,24,27,29-30,32H,2,5-8,11,14,17-21H2,1,3-4H3/b25-12+,26-13-/t24-,27+,29-,30+,31-/m1/s1 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023347
(CHEMBL3329768)Show SMILES COc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C27H25N3O2/c1-32-25-15-11-22(12-16-25)8-7-21-9-13-24(14-10-21)27(31)29-19-26(30-18-17-28-20-30)23-5-3-2-4-6-23/h2-18,20,26H,19H2,1H3,(H,29,31)/b8-7+ | KEGG
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023360
(CHEMBL3329779)Show SMILES CC(C)(C)C(=O)C(Cc1ccc(CCc2ccccc2)cc1)n1ccnc1 Show InChI InChI=1S/C24H28N2O/c1-24(2,3)23(27)22(26-16-15-25-18-26)17-21-13-11-20(12-14-21)10-9-19-7-5-4-6-8-19/h4-8,11-16,18,22H,9-10,17H2,1-3H3 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023364
(CHEMBL3360785)Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#7]-[#6]-1-[#6]-[#6]-1 |r| Show InChI InChI=1S/C27H43NO2/c1-18(6-5-15-28-22-10-11-22)23-12-13-24-21(7-4-14-27(23,24)3)9-8-20-16-25(29)19(2)26(30)17-20/h8-9,18,22-26,28-30H,2,4-7,10-17H2,1,3H3/b21-9+/t18-,23-,24+,25-,26-,27-/m1/s1 | PDB
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023350
(CHEMBL3329771)Show SMILES Fc1ccc(CCc2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C26H24FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-5,8-17,19,25H,6-7,18H2,(H,29,31) | KEGG
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| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50027699
(CHEMBL3344396)Show InChI InChI=1S/C22H21N3/c1-2-5-19(6-3-1)7-8-20-9-10-22-21(17-20)11-15-25(22)14-4-13-24-16-12-23-18-24/h1-3,5-12,15-18H,4,13-14H2/b8-7+ | KEGG
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| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023349
(CHEMBL3329770)Show SMILES COc1cc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc(OC)c1OC Show InChI InChI=1S/C29H29N3O4/c1-34-26-17-22(18-27(35-2)28(26)36-3)10-9-21-11-13-24(14-12-21)29(33)31-19-25(32-16-15-30-20-32)23-7-5-4-6-8-23/h4-18,20,25H,19H2,1-3H3,(H,31,33)/b10-9+ | KEGG
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| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM31768
(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 | KEGG
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM31768
(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 | KEGG
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| 58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
Orotidine 5'-phosphate decarboxylase
(Saccharomyces cerevisiae) | BDBM47402
(2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2...)Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc(=O)[nH]c1=O Show InChI InChI=1S/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)/t3-,5-,6-,7-/m1/s1 | PDB
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UniChem
Patents
Similars
| Article
PubMed
| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of yeast ODCase |
Bioorg Med Chem 26: 551-565 (2018)
Article DOI: 10.1016/j.bmc.2017.11.037
BindingDB Entry DOI: 10.7270/Q2639SBX |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50322357
((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+ | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023351
(CHEMBL3329772)Show SMILES O=C(NCC(c1ccccc1)n1ccnc1)c1ccc(cc1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C24H22N4O3S/c29-24(26-17-23(28-16-15-25-18-28)19-7-3-1-4-8-19)20-11-13-22(14-12-20)32(30,31)27-21-9-5-2-6-10-21/h1-16,18,23,27H,17H2,(H,26,29) | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023346
(CHEMBL3329767)Show SMILES Fc1ccc(\C=C\c2ccc(cc2)C(=O)NCC(c2ccccc2)n2ccnc2)cc1 Show InChI InChI=1S/C26H22FN3O/c27-24-14-10-21(11-15-24)7-6-20-8-12-23(13-9-20)26(31)29-18-25(30-17-16-28-19-30)22-4-2-1-3-5-22/h1-17,19,25H,18H2,(H,29,31)/b7-6+ | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023357
(CHEMBL3329776)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H32O5S/c1-24(2,3)23(29-30(6,25)26)14-13-19-9-7-18(8-10-19)11-12-20-15-21(27-4)17-22(16-20)28-5/h7-12,15-17,23H,13-14H2,1-6H3/b12-11+ | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
(Mus musculus) | BDBM50023352
(CHEMBL3329773)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C23H28O3/c1-23(2,3)22(24)13-12-18-8-6-17(7-9-18)10-11-19-14-20(25-4)16-21(15-19)26-5/h6-11,14-16H,12-13H2,1-5H3/b11-10+ | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of mouse CYP27B1 using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reductase and NADPH incubated at 37 degC for 2... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023352
(CHEMBL3329773)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C23H28O3/c1-23(2,3)22(24)13-12-18-8-6-17(7-9-18)10-11-19-14-20(25-4)16-21(15-19)26-5/h6-11,14-16H,12-13H2,1-5H3/b11-10+ | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023358
(CHEMBL3329777)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(=O)(=O)c3ccc(C)cc3)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C30H36O5S/c1-22-7-16-28(17-8-22)36(31,32)35-29(30(2,3)4)18-15-24-11-9-23(10-12-24)13-14-25-19-26(33-5)21-27(20-25)34-6/h7-14,16-17,19-21,29H,15,18H2,1-6H3/b14-13+ | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027688
(CHEMBL3344400)Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCCn1ccc2c(\C=C\c3ccccc3)cccc12 Show InChI InChI=1S/C27H28N2O2S/c1-22-12-16-25(17-13-22)32(30,31)28-19-5-6-20-29-21-18-26-24(10-7-11-27(26)29)15-14-23-8-3-2-4-9-23/h2-4,7-18,21,28H,5-6,19-20H2,1H3/b15-14+ | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027692
(CHEMBL3344398)Show SMILES Cc1ccc(cc1)S(=O)(=O)NCCCn1ccc2c(\C=C\c3ccccc3)cccc12 Show InChI InChI=1S/C26H26N2O2S/c1-21-11-15-24(16-12-21)31(29,30)27-18-6-19-28-20-17-25-23(9-5-10-26(25)28)14-13-22-7-3-2-4-8-22/h2-5,7-17,20,27H,6,18-19H2,1H3/b14-13+ | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023357
(CHEMBL3329776)Show SMILES COc1cc(OC)cc(\C=C\c2ccc(CCC(OS(C)(=O)=O)C(C)(C)C)cc2)c1 Show InChI InChI=1S/C24H32O5S/c1-24(2,3)23(29-30(6,25)26)14-13-19-9-7-18(8-10-19)11-12-20-15-21(27-4)17-22(16-20)28-5/h7-12,15-17,23H,13-14H2,1-6H3/b12-11+ | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50023356
(CHEMBL3329775)Show SMILES CC(C)(C)C(CCc1ccc(\C=C\c2ccccc2)cc1)OS(C)(=O)=O Show InChI InChI=1S/C22H28O3S/c1-22(2,3)21(25-26(4,23)24)17-16-20-14-12-19(13-15-20)11-10-18-8-6-5-7-9-18/h5-15,21H,16-17H2,1-4H3/b11-10+ | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of human MBP-tagged CYP24A1 expressed in Escherichia coli using 1,25(OH)2D3 substrate in presence of bovine adrenodoxin, adrenodoxin reduc... |
J Med Chem 57: 7702-15 (2014)
Article DOI: 10.1021/jm5009314
BindingDB Entry DOI: 10.7270/Q2DN46ND |
More data for this
Ligand-Target Pair | |
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial
(Homo sapiens (Human)) | BDBM50027686
(CHEMBL3344402)Show SMILES O=S(OCCCn1ccc2c(\C=C\c3ccccc3)cccc12)c1ccccc1 Show InChI InChI=1S/C25H23NO2S/c27-29(23-12-5-2-6-13-23)28-20-8-18-26-19-17-24-22(11-7-14-25(24)26)16-15-21-9-3-1-4-10-21/h1-7,9-17,19H,8,18,20H2/b16-15+ | PDB
Reactome pathway
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PC sid
UniChem
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Similars
| Article
PubMed
| 540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Cardiff University
Curated by ChEMBL
| Assay Description
Inhibition of N-terminally MBP-fused human CYP24A1 by cell-free assay |
Eur J Med Chem 87: 39-51 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.035
BindingDB Entry DOI: 10.7270/Q2SF2XR1 |
More data for this
Ligand-Target Pair | |
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