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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 = 'BDBM50027685'   
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))
BDBM50027685
PNG
(CHEMBL3344403)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCn1ccc2c(\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C26H25NO3S/c1-21-11-15-24(16-12-21)31(28,29)30-20-6-18-27-19-17-25-23(9-5-10-26(25)27)14-13-22-7-3-2-4-8-22/h2-5,7-17,19H,6,18,20H2,1H3/b14-13+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
640n/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))
BDBM50027685
PNG
(CHEMBL3344403)
Show SMILES Cc1ccc(cc1)S(=O)(=O)OCCCn1ccc2c(\C=C\c3ccccc3)cccc12
Show InChI InChI=1S/C26H25NO3S/c1-21-11-15-24(16-12-21)31(28,29)30-20-6-18-27-19-17-25-23(9-5-10-26(25)27)14-13-22-7-3-2-4-8-22/h2-5,7-17,19H,6,18,20H2,1H3/b14-13+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/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