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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' and Ligand = 'BDBM50167078'   
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
Lanosterol synthase


(Rattus norvegicus)
BDBM50167078
PNG
(CHEMBL3800198)
Show SMILES Oc1cn(ccc1=O)-c1nccc(c1F)-c1ccccc1
Show InChI InChI=1S/C16H11FN2O2/c17-15-12(11-4-2-1-3-5-11)6-8-18-16(15)19-9-7-13(20)14(21)10-19/h1-10,21H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50167078
PNG
(CHEMBL3800198)
Show SMILES Oc1cn(ccc1=O)-c1nccc(c1F)-c1ccccc1
Show InChI InChI=1S/C16H11FN2O2/c17-15-12(11-4-2-1-3-5-11)6-8-18-16(15)19-9-7-13(20)14(21)10-19/h1-10,21H
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 946n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...


Bioorg Med Chem Lett 26: 2952-2956 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI: 10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair