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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 321.4
BDBM50327305

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))
BDBM50327305
PNG
(CHEMBL1258849 | N,N-dimethyl-1-(4-(((2-phenyl-2H-1...)
Show SMILES CN(C)Cc1ccc(CNCc2cnn(n2)-c2ccccc2)cc1
Show InChI InChI=1S/C19H23N5/c1-23(2)15-17-10-8-16(9-11-17)12-20-13-18-14-21-24(22-18)19-6-4-3-5-7-19/h3-11,14,20H,12-13,15H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Institute of Microbial Chemistry

Curated by ChEMBL


Assay Description
Inhibition of OSC


Bioorg Med Chem Lett 20: 5807-10 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.131
BindingDB Entry DOI: 10.7270/Q2Q52PV3
More data for this
Ligand-Target Pair