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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = '1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial' and Ligand = 'BDBM50322358'   
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
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial


(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 |r|
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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Article
PubMed
n/an/a 15n/an/an/an/an/an/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))
BDBM50322358
PNG
(4'-Chloro-biphenyl-4-carboxylic acid((R)-2-imidazo...)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C(=O)NC[C@@H](c1ccccc1)n1ccnc1 |r|
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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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Medicinal Chemistry, School of Pharmacy& Pharmaceutical Sciences, Cardiff University, King Edward VII Avenue, Cardiff CF10 3NB, UK.

Curated by ChEMBL


Assay Description
Inhibition of human CYP24A1


Bioorg Med Chem 25: 5629-5636 (2017)


Article DOI: 10.1016/j.bmc.2017.08.036
BindingDB Entry DOI: 10.7270/Q2Z03BN3
More data for this
Ligand-Target Pair
1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial


(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 |r|
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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Article
PubMed
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