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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial' and Ligand = 'BDBM50023348'   
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
25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial


(Mus musculus)
BDBM50023348
PNG
(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
26n/an/an/an/an/an/an/an/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)
BDBM50023348
PNG
(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
n/an/a 160n/an/an/an/an/an/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