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Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'sudoh' and Initial = 'm'   
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
Chitin synthase


(Candida albicans)
BDBM50089536
PNG
(5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...)
Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)
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n/an/a 0.140n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089557
PNG
(5-[Butyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino...)
Show SMILES CCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+
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n/an/a 0.350n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089551
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-propyl-amin...)
Show SMILES CCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C21H28N2O/c1-5-15-23(16-8-6-7-14-21(2,3)4)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11H,5,12-13,15-16H2,1-4H3,(H,22,24)/b8-6+
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n/an/a 0.680n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089540
PNG
(CHEMBL32125 | Phosphoric acid 5-[(6,6-dimethyl-hep...)
Show SMILES CCOP(=O)(OCC)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C
Show InChI InChI=1S/C23H31N2O5P/c1-7-28-31(27,29-8-2)30-21-17-18-19(24-22(21)26)13-12-14-20(18)25(6)16-11-9-10-15-23(3,4)5/h12-14,21H,7-8,16-17H2,1-6H3,(H,24,26)
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n/an/a 0.760n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089563
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+
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n/an/a 0.900n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089538
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...)
Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+
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n/an/a 1.10n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089559
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-isopropyl-a...)
Show SMILES CC(C)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C21H28N2O/c1-16(2)23(15-8-6-7-14-21(3,4)5)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11,16H,12-13,15H2,1-5H3,(H,22,24)/b8-6+
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n/an/a 1.20n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089543
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+
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n/an/a 2.80n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089547
PNG
(5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...)
Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(O)Cc12
Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10,17,22H,12-13H2,1-4H3,(H,20,23)
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n/an/a 3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089537
PNG
(5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...)
Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)
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n/an/a 7.20n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089560
PNG
(5-(Hepta-2,4-diynyl-methyl-amino)-3,4-dihydro-1H-q...)
Show SMILES CCC#CC#CCN(C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C17H18N2O/c1-3-4-5-6-7-13-19(2)16-10-8-9-15-14(16)11-12-17(20)18-15/h8-10H,3,11-13H2,1-2H3,(H,18,20)
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n/an/a 7.90n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089550
PNG
(5-[(6,6-Dimethyl-hept-4-ynyl)-methyl-amino]-3,4-di...)
Show SMILES CN(CCCC#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C19H26N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,5,7,11-12,14H2,1-4H3,(H,20,22)
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n/an/a 9n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 1


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT1 activity in LCB1 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Serine palmitoyltransferase 2


(Homo sapiens (Human))
BDBM50325998
PNG
((S)-2-((S,E)-1-((S)-1-carboxy-2-(4-(3-methylbut-2-...)
Show SMILES CCCCCCCC(=O)CCCCCC\C=C\[C@H](C(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O
Show InChI InChI=1S/C36H53NO10/c1-4-5-6-9-12-15-28(38)16-13-10-7-8-11-14-17-30(36(46,35(44)45)25-32(39)40)33(41)37-31(34(42)43)24-27-18-20-29(21-19-27)47-23-22-26(2)3/h14,17-22,30-31,46H,4-13,15-16,23-25H2,1-3H3,(H,37,41)(H,39,40)(H,42,43)(H,44,45)/b17-14+/t30-,31+,36+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Chugai Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SPT2 activity in LCB2 transfected human HEK293 cells


Nat Chem Biol 1: 333-7 (2006)


Article DOI: 10.1038/nchembio742
BindingDB Entry DOI: 10.7270/Q2MW2HC2
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089562
PNG
(3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-...)
Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(N)Cc12
Show InChI InChI=1S/C19H23N3O/c1-19(2,3)11-6-5-7-12-22(4)17-10-8-9-16-14(17)13-15(20)18(23)21-16/h8-10,15H,12-13,20H2,1-4H3,(H,21,23)
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n/an/a 12n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089561
PNG
(5-[((Z)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...)
Show SMILES CN(C\C=C/C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5-
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n/an/a 13n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089535
PNG
((R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl...)
Show SMILES CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C
Show InChI InChI=1S/C24H31N3O3/c1-16(2)21(25)23(29)30-20-15-17-18(26-22(20)28)11-10-12-19(17)27(6)14-9-7-8-13-24(3,4)5/h10-12,16,20-21H,14-15,25H2,1-6H3,(H,26,28)/t20?,21-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089556
PNG
(5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amin...)
Show SMILES CC(C)(C)C#C\C=C\CN(Cc1ccccc1)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C25H28N2O/c1-25(2,3)17-8-5-9-18-27(19-20-11-6-4-7-12-20)23-14-10-13-22-21(23)15-16-24(28)26-22/h4-7,9-14H,15-16,18-19H2,1-3H3,(H,26,28)/b9-5+
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n/an/a 54n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089546
PNG
(5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...)
Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12
Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+
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n/an/a 70n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089548
PNG
(5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-3,4-dih...)
Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2NC(=O)CCc12
Show InChI InChI=1S/C18H22N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-9,19H,10-11,13H2,1-3H3,(H,20,21)/b6-4+
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n/an/a 71n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089546
PNG
(5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...)
Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12
Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+
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n/an/a 71n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089558
PNG
(5-[(6-Hydroxy-6-methyl-hepta-2,4-diynyl)-methyl-am...)
Show SMILES CN(CC#CC#CC(C)(C)O)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C18H20N2O2/c1-18(2,22)12-5-4-6-13-20(3)16-9-7-8-15-14(16)10-11-17(21)19-15/h7-9,22H,10-11,13H2,1-3H3,(H,19,21)
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n/an/a 213n/an/an/an/an/an/a



Nippon Roche Research Center

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Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089553
PNG
(CHEMBL32687 | N-((E)-6,6-Dimethyl-hept-2-en-4-ynyl...)
Show SMILES CC(C)(C)C#C\C=C\CN(c1cccc2NC(=O)CCc12)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)13-6-5-7-14-21(25(4,23)24)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+
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n/an/a 391n/an/an/an/an/an/a



Nippon Roche Research Center

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Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089552
PNG
(CHEMBL416596 | N-((E)-6,6-Dimethyl-hept-2-en-4-yny...)
Show SMILES CC(=O)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C20H24N2O2/c1-15(23)22(14-7-5-6-13-20(2,3)4)18-10-8-9-17-16(18)11-12-19(24)21-17/h5,7-10H,11-12,14H2,1-4H3,(H,21,24)/b7-5+
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n/an/a 775n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089554
PNG
(CHEMBL35365 | N-[3-((E)-6,6-Dimethyl-hept-2-en-4-y...)
Show SMILES CC(=O)Nc1cccc(NC\C=C\C#CC(C)(C)C)c1
Show InChI InChI=1S/C17H22N2O/c1-14(20)19-16-10-8-9-15(13-16)18-12-7-5-6-11-17(2,3)4/h5,7-10,13,18H,12H2,1-4H3,(H,19,20)/b7-5+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089555
PNG
(5-[(6-Methoxy-6-methyl-hepta-2,4-diynyl)-methyl-am...)
Show SMILES COC(C)(C)C#CC#CCN(C)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C19H22N2O2/c1-19(2,23-4)13-6-5-7-14-21(3)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089541
PNG
((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...)
Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1
Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089545
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-quinolin-5-yl-...)
Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2ncccc12
Show InChI InChI=1S/C18H20N2/c1-18(2,3)12-5-4-6-13-19-16-10-7-11-17-15(16)9-8-14-20-17/h4,6-11,14,19H,13H2,1-3H3/b6-4+
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n/an/a 4.50E+3n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089539
PNG
(5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-chromen...)
Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2oc(=O)ccc12
Show InChI InChI=1S/C18H19NO2/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(20)21-16/h4,6-11,19H,13H2,1-3H3/b6-4+
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n/an/a 1.20E+4n/an/an/an/an/an/a



Nippon Roche Research Center

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Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089549
PNG
(5-[Methyl-(5-phenyl-penta-2,4-diynyl)-amino]-3,4-d...)
Show SMILES CN(CC#CC#Cc1ccccc1)c1cccc2NC(=O)CCc12
Show InChI InChI=1S/C21H18N2O/c1-23(16-7-3-6-11-17-9-4-2-5-10-17)20-13-8-12-19-18(20)14-15-21(24)22-19/h2,4-5,8-10,12-13H,14-16H2,1H3,(H,22,24)
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n/an/a 1.37E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089542
PNG
(5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1-methy...)
Show SMILES Cn1c2cccc(NC\C=C\C#CC(C)(C)C)c2ccc1=O
Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-20-16-9-8-10-17-15(16)11-12-18(22)21(17)4/h5,7-12,20H,14H2,1-4H3/b7-5+
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n/an/a 1.60E+4n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089564
PNG
(5-[((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-methyl...)
Show SMILES CC(C)(C)C#C\C=C\CNCc1ccc(=O)[nH]c1
Show InChI InChI=1S/C15H20N2O/c1-15(2,3)9-5-4-6-10-16-11-13-7-8-14(18)17-12-13/h4,6-8,12,16H,10-11H2,1-3H3,(H,17,18)/b6-4+
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n/an/a 2.11E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair
Chitin synthase


(Candida albicans)
BDBM50089544
PNG
(5-(6,6-Dimethyl-heptylamino)-1H-quinolin-2-one | C...)
Show SMILES CC(C)(C)CCCCCNc1cccc2[nH]c(=O)ccc12
Show InChI InChI=1S/C18H26N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h7-11,19H,4-6,12-13H2,1-3H3,(H,20,21)
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n/an/a>3.50E+5n/an/an/an/an/an/a



Nippon Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory of Candida albicans chitin synthase 1


Bioorg Med Chem Lett 10: 1459-62 (2000)


Article DOI: 10.1016/s0960-894x(00)00257-2
BindingDB Entry DOI: 10.7270/Q2R210MK
More data for this
Ligand-Target Pair