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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cytochrome CYP26A1' and Ligand = 'BDBM50158415'   
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
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cell microsome assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human MCF7 cells assessed ATRA as metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair
Cytochrome CYP26A1


(Homo sapiens (Human))
BDBM50158415
PNG
(4-((+/-)-(1H-imidazol-1-yl)-(E)-methylretinoate | ...)
Show SMILES COC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C(CCC1(C)C)n1ccnc1 |c:14|
Show InChI InChI=1S/C24H32N2O2/c1-18(8-7-9-19(2)16-23(27)28-6)10-11-21-20(3)22(12-13-24(21,4)5)26-15-14-25-17-26/h7-11,14-17,22H,12-13H2,1-6H3/b9-7+,11-10+,18-8+,19-16+
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 215n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of ATRA-induced CYP26 in human T47D cells assessed as ATRA metabolism using [11.12-3H]-ATRA


J Med Chem 47: 6716-29 (2004)


Article DOI: 10.1021/jm0401457
BindingDB Entry DOI: 10.7270/Q2K64HJV
More data for this
Ligand-Target Pair