new BindingDB logo
myBDB logout

BDBM50325329 4-((1H-imidazol-1-yl)methyl)phenyl 4-ethylbenzenesulfonate::CHEMBL1222850

SMILES: CCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1

InChI Key: InChIKey=JZJTZCFWEOWEKC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50325329   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50325329
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-ethylbenzenes...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H18N2O3S/c1-2-15-5-9-18(10-6-15)24(21,22)23-17-7-3-16(4-8-17)13-20-12-11-19-14-20/h3-12,14H,2,13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17,20-lyase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 20: 5345-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.100
BindingDB Entry DOI: 10.7270/Q2DF6RF1
More data for this
Ligand-Target Pair
Cytochrome P450 17A1


(Rattus norvegicus (Rat))
BDBM50325329
PNG
(4-((1H-imidazol-1-yl)methyl)phenyl 4-ethylbenzenes...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)Oc1ccc(Cn2ccnc2)cc1
Show InChI InChI=1S/C18H18N2O3S/c1-2-15-5-9-18(10-6-15)24(21,22)23-17-7-3-16(4-8-17)13-20-12-11-19-14-20/h3-12,14H,2,13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



University of the West of Scotland

Curated by ChEMBL


Assay Description
Inhibition of 17alpha-hydroxylase activity of rat testicular microsomal P450-17alpha


Bioorg Med Chem Lett 20: 5345-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.100
BindingDB Entry DOI: 10.7270/Q2DF6RF1
More data for this
Ligand-Target Pair