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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 = 'BDBM50027699'   
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))
BDBM50027699
PNG
(CHEMBL3344396)
Show SMILES C(Cn1ccnc1)Cn1ccc2cc(\C=C\c3ccccc3)ccc12
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+
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PC sid
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Article
PubMed
37n/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))
BDBM50027699
PNG
(CHEMBL3344396)
Show SMILES C(Cn1ccnc1)Cn1ccc2cc(\C=C\c3ccccc3)ccc12
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

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 520n/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