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PubMed code 20728352

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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)
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
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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
Lanosterol synthase


(Homo sapiens)
BDBM50327308
PNG
(CHEMBL1233973 | LAURYL DIMETHYLAMINE-N-OXIDE | N,N...)
Show SMILES CCCCCCCCCCCC[N+](C)(C)[O-]
Show InChI InChI=1S/C14H31NO/c1-4-5-6-7-8-9-10-11-12-13-14-15(2,3)16/h4-14H2,1-3H3
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PubMed
n/an/a 2.15E+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
Lanosterol synthase


(Homo sapiens)
BDBM50327304
PNG
(1-(4-(((1-(4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(CNCc2ccc(CN(C)C)cc2)c1C
Show InChI InChI=1S/C24H31N3O/c1-18-14-22(19(2)27(18)23-10-12-24(28-5)13-11-23)16-25-15-20-6-8-21(9-7-20)17-26(3)4/h6-14,25H,15-17H2,1-5H3
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n/an/a 1.27E+4n/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
Lanosterol synthase


(Homo sapiens)
BDBM50327306
PNG
(CHEMBL1258964 | N-(4-((dimethylamino)methyl)benzyl...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(C(=O)NCc2ccc(CN(C)C)cc2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-17-14-23(18(2)27(17)21-10-12-22(29-5)13-11-21)24(28)25-15-19-6-8-20(9-7-19)16-26(3)4/h6-14H,15-16H2,1-5H3,(H,25,28)
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n/an/a 3.54E+4n/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
Lanosterol synthase


(Homo sapiens)
BDBM50327307
PNG
(4-((dimethylamino)methyl)-N-((1-(4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(CNC(=O)c2ccc(CN(C)C)cc2)c1C
Show InChI InChI=1S/C24H29N3O2/c1-17-14-21(18(2)27(17)22-10-12-23(29-5)13-11-22)15-25-24(28)20-8-6-19(7-9-20)16-26(3)4/h6-14H,15-16H2,1-5H3,(H,25,28)
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PubMed
n/an/a 5.88E+4n/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
* indicates data uncertainty>20%