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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '1,25-dihydroxyvitamin D(3) 24-hydroxylase, mitochondrial' and Ligand = 'BDBM50027689'   
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))
BDBM50027689
PNG
(CHEMBL3344399)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCNS(=O)(=O)c4ccc(C)cc4)ccc23)c1
Show InChI InChI=1S/C28H30N2O4S/c1-21-8-12-26(13-9-21)35(31,32)29-15-5-16-30-17-14-27-23(6-4-7-28(27)30)11-10-22-18-24(33-2)20-25(19-22)34-3/h4,6-14,17-20,29H,5,15-16H2,1-3H3/b11-10+
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PC cid
PC sid
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Similars

Article
PubMed
730n/an/an/an/an/an/an/an/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))
BDBM50027689
PNG
(CHEMBL3344399)
Show SMILES COc1cc(OC)cc(\C=C\c2cccc3n(CCCNS(=O)(=O)c4ccc(C)cc4)ccc23)c1
Show InChI InChI=1S/C28H30N2O4S/c1-21-8-12-26(13-9-21)35(31,32)29-15-5-16-30-17-14-27-23(6-4-7-28(27)30)11-10-22-18-24(33-2)20-25(19-22)34-3/h4,6-14,17-20,29H,5,15-16H2,1-3H3/b11-10+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/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