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PubMed code 22137785

Compile data set for download or QSAR
Found 6 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 (Human))		BDBM50360804
PNG
(CHEMBL1934668)
Show SMILES CN(C)Cc1ccc(CNC(=O)c2ccc(cc2)C(F)(F)F)cc1
Show InChI InChI=1S/C18H19F3N2O/c1-23(2)12-14-5-3-13(4-6-14)11-22-17(24)15-7-9-16(10-8-15)18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
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n/an/a 1.38E+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
Lanosterol synthase


(Homo sapiens (Human))		BDBM50360803
PNG
(CHEMBL1934667)
Show SMILES CN(C)Cc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H20ClN3O/c1-21(2)12-14-5-3-13(4-6-14)11-19-17(22)20-16-9-7-15(18)8-10-16/h3-10H,11-12H2,1-2H3,(H2,19,20,22)
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Article
PubMed
n/an/a 3.12E+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
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)
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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
Lanosterol synthase


(Homo sapiens (Human))		BDBM50360806
PNG
(CHEMBL1934670)
Show SMILES O=C(CCc1ccc(CN2CCCC2)cc1)Cn1cnc2sc(cc2c1=O)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2S/c31-23(13-12-20-8-10-21(11-9-20)17-29-14-4-5-15-29)18-30-19-28-26-24(27(30)32)16-25(33-26)22-6-2-1-3-7-22/h1-3,6-11,16,19H,4-5,12-15,17-18H2
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n/an/a 5.02E+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
Lanosterol synthase


(Homo sapiens (Human))		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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n/an/a 6.31E+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
Lanosterol synthase


(Homo sapiens (Human))		BDBM50360802
PNG
(CHEMBL1710736)
Show SMILES CN(C)Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C22H24N2O2/c1-24(2)15-18-9-7-17(8-10-18)14-23-22(25)16-26-21-12-11-19-5-3-4-6-20(19)13-21/h3-13H,14-16H2,1-2H3,(H,23,25)
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n/an/a 1.08E+4n/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
* indicates data uncertainty>20%