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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'akamatsu' and Initial = 'y'   
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)
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)
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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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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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)
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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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)
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)
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)
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)
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
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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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