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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.4
BDBM50360805
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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


(Homo sapiens (Human))
BDBM50360805
PNG
(CHEMBL1934669)
Show SMILES S=C(NCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1
Show InChI InChI=1S/C20H19N3S/c24-20(22-15-18-4-2-1-3-5-18)23-19-8-6-16(7-9-19)14-17-10-12-21-13-11-17/h1-13H,14-15H2,(H2,22,23,24)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.75E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human OSC expressed in Saccharomyces cerevisiae by gas chromatography


Bioorg Med Chem Lett 22: 231-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.021
BindingDB Entry DOI: 10.7270/Q2Z60PHC
More data for this
Ligand-Target Pair