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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 263.2
BDBM50450471

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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)
BDBM50450471
PNG
(CHEMBL4163083)
Show SMILES Cc1ccc(cc1)C(=O)c1ccc(O)c2ncccc12
Show InChI InChI=1S/C17H13NO2/c1-11-4-6-12(7-5-11)17(20)14-8-9-15(19)16-13(14)3-2-10-18-16/h2-10,19H,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.98E+3n/an/an/an/an/an/a



Lieber Institute for Brain Development

Curated by ChEMBL


Assay Description
Inhibition of c-terminal hexa-His tagged human MB-COMT expressed in HEK293 cell membrane homogenate using norepinephrine as substrate after 1 hr in p...


J Med Chem 61: 9647-9665 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01126
BindingDB Entry DOI: 10.7270/Q2N300H8
More data for this
Ligand-Target Pair