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Compile Data Set for Download or QSAR

Found 65 hits with Last Name = 'neuss' and Initial = 'jc'   
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
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149727
PNG
(CHEMBL361420 | {5-[3-(2-Hydroxy-1-phenyl-ethoxy)-4...)
Show SMILES OCC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H25NO6S2/c30-18-24(21-9-5-2-6-10-21)35-23-15-20(16-25-27(33)29(17-26(31)32)28(36)37-25)11-12-22(23)34-14-13-19-7-3-1-4-8-19/h1-12,15-16,24,30H,13-14,17-18H2,(H,31,32)/b25-16-
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n/an/a 170n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149739
PNG
(CHEMBL182293 | {4-Oxo-5-[1-[4-phenethyloxy-3-(1-ph...)
Show SMILES CC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H25NO5S2/c1-19(22-10-6-3-7-11-22)34-24-16-21(17-25-27(32)29(18-26(30)31)28(35)36-25)12-13-23(24)33-15-14-20-8-4-2-5-9-20/h2-13,16-17,19H,14-15,18H2,1H3,(H,30,31)/b25-17-
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n/an/a 200n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149752
PNG
(CHEMBL361718 | {4-Oxo-5-[4-((R)-2-phenyl-butoxy)-3...)
Show SMILES CC[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H26F3NO5S2/c1-2-20(21-9-5-3-6-10-21)18-38-23-14-13-19(16-25-28(37)34(17-26(35)36)29(40)41-25)15-24(23)39-27(30(31,32)33)22-11-7-4-8-12-22/h3-16,20,27H,2,17-18H2,1H3,(H,35,36)/b25-16-/t20-,27+/m0/s1
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Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149777
PNG
(CHEMBL366064 | {5-[1-[3-(Carbamoyl-phenyl-methoxy)...)
Show SMILES NC(=O)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H24N2O6S2/c29-26(33)25(20-9-5-2-6-10-20)36-22-15-19(16-23-27(34)30(17-24(31)32)28(37)38-23)11-12-21(22)35-14-13-18-7-3-1-4-8-18/h1-12,15-16,25H,13-14,17H2,(H2,29,33)(H,31,32)/b23-16-
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n/an/a 350n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149774
PNG
(CHEMBL182467 | {4-Oxo-5-[4-((R)-2-phenyl-propoxy)-...)
Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26+/m0/s1
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Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149764
PNG
(CHEMBL185312 | {4-Oxo-5-[3-((S)-1-phenyl-ethoxy)-4...)
Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@@H](C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H27NO5S2/c1-19(22-9-5-3-6-10-22)18-34-24-14-13-21(15-25(24)35-20(2)23-11-7-4-8-12-23)16-26-28(33)30(17-27(31)32)29(36)37-26/h3-16,19-20H,17-18H2,1-2H3,(H,31,32)/b26-16-/t19-,20-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149744
PNG
(CHEMBL182588 | {4-Oxo-5-[1-[4-((S)-2-phenyl-butoxy...)
Show SMILES CC[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H26F3NO5S2/c1-2-20(21-9-5-3-6-10-21)18-38-23-14-13-19(16-25-28(37)34(17-26(35)36)29(40)41-25)15-24(23)39-27(30(31,32)33)22-11-7-4-8-12-22/h3-16,20,27H,2,17-18H2,1H3,(H,35,36)/b25-16-/t20-,27-/m1/s1
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n/an/a 500n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149741
PNG
(CHEMBL369344 | {4-Oxo-5-[1-[4-((S)-2-phenyl-propox...)
Show SMILES C[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149768
PNG
(CHEMBL424794 | {5-[1-[3-(2-Methyl-1-phenyl-propoxy...)
Show SMILES CC(C)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H29NO5S2/c1-20(2)28(23-11-7-4-8-12-23)36-25-17-22(18-26-29(34)31(19-27(32)33)30(37)38-26)13-14-24(25)35-16-15-21-9-5-3-6-10-21/h3-14,17-18,20,28H,15-16,19H2,1-2H3,(H,32,33)/b26-18-
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n/an/a 700n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149749
PNG
(CHEMBL182291 | {5-[3-(Dipropylcarbamoyl-phenyl-met...)
Show SMILES CCCN(CCC)C(=O)C(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H36N2O6S2/c1-3-18-35(19-4-2)33(40)31(26-13-9-6-10-14-26)42-28-21-25(22-29-32(39)36(23-30(37)38)34(43)44-29)15-16-27(28)41-20-17-24-11-7-5-8-12-24/h5-16,21-22,31H,3-4,17-20,23H2,1-2H3,(H,37,38)/b29-22-
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n/an/a 800n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149758
PNG
((5-{3-Benzyloxy-4-[2-(3,5-difluoro-phenyl)-ethoxy]...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3cc(F)cc(F)c3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H21F2NO5S2/c28-20-10-19(11-21(29)14-20)8-9-34-22-7-6-18(12-23(22)35-16-17-4-2-1-3-5-17)13-24-26(33)30(15-25(31)32)27(36)37-24/h1-7,10-14H,8-9,15-16H2,(H,31,32)/b24-13-
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n/an/a 850n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149776
PNG
(CHEMBL367136 | {4-Oxo-5-[4-phenethyloxy-3-(1-pheny...)
Show SMILES CCC(Oc1cc(\C=C2/SC(=S)N(CC(O)=O)C2=O)ccc1OCCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H27NO5S2/c1-2-23(22-11-7-4-8-12-22)35-25-17-21(18-26-28(33)30(19-27(31)32)29(36)37-26)13-14-24(25)34-16-15-20-9-5-3-6-10-20/h3-14,17-18,23H,2,15-16,19H2,1H3,(H,31,32)/b26-18-
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n/an/a 950n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149748
PNG
(CHEMBL363745 | {5-[3-Benzyloxy-4-(4-chloro-benzylo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C26H20ClNO5S2/c27-20-9-6-18(7-10-20)16-32-21-11-8-19(12-22(21)33-15-17-4-2-1-3-5-17)13-23-25(31)28(14-24(29)30)26(34)35-23/h1-13H,14-16H2,(H,29,30)/b23-13-
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n/an/a 950n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149737
PNG
(CHEMBL360293 | {5-[1-[3-(2-Morpholin-4-yl-2-oxo-1-...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccccc3)c(OC(C(=O)N3CCOCC3)c3ccccc3)c2)C1=O
Show InChI InChI=1S/C32H30N2O7S2/c35-28(36)21-34-30(37)27(43-32(34)42)20-23-11-12-25(40-16-13-22-7-3-1-4-8-22)26(19-23)41-29(24-9-5-2-6-10-24)31(38)33-14-17-39-18-15-33/h1-12,19-20,29H,13-18,21H2,(H,35,36)/b27-20-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149754
PNG
(CHEMBL369715 | {5-[1-{3-Benzyloxy-4-[2-(4-fluoro-p...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccc(F)cc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H22FNO5S2/c28-21-9-6-18(7-10-21)12-13-33-22-11-8-20(14-23(22)34-17-19-4-2-1-3-5-19)15-24-26(32)29(16-25(30)31)27(35)36-24/h1-11,14-15H,12-13,16-17H2,(H,30,31)/b24-15-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149773
PNG
((5-{3-Benzyloxy-4-[2-(4-trifluoromethoxy-phenyl)-e...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccc(OC(F)(F)F)cc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C28H22F3NO6S2/c29-28(30,31)38-21-9-6-18(7-10-21)12-13-36-22-11-8-20(14-23(22)37-17-19-4-2-1-3-5-19)15-24-26(35)32(16-25(33)34)27(39)40-24/h1-11,14-15H,12-13,16-17H2,(H,33,34)/b24-15-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149735
PNG
(CHEMBL181647 | {5-[1-[3-Benzyloxy-4-(3-phenyl-prop...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C28H25NO5S2/c30-26(31)18-29-27(32)25(36-28(29)35)17-22-13-14-23(33-15-7-12-20-8-3-1-4-9-20)24(16-22)34-19-21-10-5-2-6-11-21/h1-6,8-11,13-14,16-17H,7,12,15,18-19H2,(H,30,31)/b25-17-
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n/an/a 1.40E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149766
PNG
(CHEMBL369740 | [5-(3-Benzyloxy-4-phenethyloxy-benz...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H23NO5S2/c29-25(30)17-28-26(31)24(35-27(28)34)16-21-11-12-22(32-14-13-19-7-3-1-4-8-19)23(15-21)33-18-20-9-5-2-6-10-20/h1-12,15-16H,13-14,17-18H2,(H,29,30)/b24-16-
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n/an/a 1.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149770
PNG
((5-{3-Benzyloxy-4-[2-(4-chloro-phenyl)-ethoxy]-ben...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccc(Cl)cc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H22ClNO5S2/c28-21-9-6-18(7-10-21)12-13-33-22-11-8-20(14-23(22)34-17-19-4-2-1-3-5-19)15-24-26(32)29(16-25(30)31)27(35)36-24/h1-11,14-15H,12-13,16-17H2,(H,30,31)/b24-15-
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n/an/a 1.60E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149745
PNG
(CHEMBL361840 | {5-[3-Benzyloxy-4-((R)-2-phenyl-pro...)
Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H25NO5S2/c1-19(22-10-6-3-7-11-22)17-33-23-13-12-21(14-24(23)34-18-20-8-4-2-5-9-20)15-25-27(32)29(16-26(30)31)28(35)36-25/h2-15,19H,16-18H2,1H3,(H,30,31)/b25-15-/t19-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149756
PNG
(CHEMBL426061 | {4-Oxo-5-[1-[3-((R)-1-phenyl-ethoxy...)
Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@H](C)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H27NO5S2/c1-19(22-9-5-3-6-10-22)18-34-24-14-13-21(15-25(24)35-20(2)23-11-7-4-8-12-23)16-26-28(33)30(17-27(31)32)29(36)37-26/h3-16,19-20H,17-18H2,1-2H3,(H,31,32)/b26-16-/t19-,20+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149755
PNG
(CHEMBL360588 | {4-Oxo-5-[4-((R)-2-phenyl-propoxy)-...)
Show SMILES C[C@@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26-/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149762
PNG
(CHEMBL183715 | {5-[3-Benzyloxy-4-(4-trifluoromethy...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(cc3)C(F)(F)F)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H20F3NO5S2/c28-27(29,30)20-9-6-18(7-10-20)16-35-21-11-8-19(12-22(21)36-15-17-4-2-1-3-5-17)13-23-25(34)31(14-24(32)33)26(37)38-23/h1-13H,14-16H2,(H,32,33)/b23-13-
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n/an/a 1.90E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149760
PNG
(CHEMBL360702 | {5-[3-Benzyloxy-4-(3,4-difluoro-ben...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(F)c(F)c3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C26H19F2NO5S2/c27-19-8-6-18(10-20(19)28)15-33-21-9-7-17(11-22(21)34-14-16-4-2-1-3-5-16)12-23-25(32)29(13-24(30)31)26(35)36-23/h1-12H,13-15H2,(H,30,31)/b23-12-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149742
PNG
(CHEMBL182584 | {5-[1-[4-Benzyloxy-3-(4-trifluorome...)
Show SMILES OC(=O)CN1C(=S)S\C(=C\c2ccc(OCc3ccccc3)c(OCc3ccc(OC(F)(F)F)cc3)c2)C1=O
Show InChI InChI=1S/C27H20F3NO6S2/c28-27(29,30)37-20-9-6-18(7-10-20)16-36-22-12-19(8-11-21(22)35-15-17-4-2-1-3-5-17)13-23-25(34)31(14-24(32)33)26(38)39-23/h1-13H,14-16H2,(H,32,33)/b23-13+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149736
PNG
(CHEMBL442034 | {5-[3-Benzyloxy-4-(3-trifluoromethy...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3cccc(c3)C(F)(F)F)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H20F3NO5S2/c28-27(29,30)20-8-4-7-19(11-20)16-35-21-10-9-18(12-22(21)36-15-17-5-2-1-3-6-17)13-23-25(34)31(14-24(32)33)26(37)38-23/h1-13H,14-16H2,(H,32,33)/b23-13-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149771
PNG
((Z)-2-(5-(3,4-bis(benzyloxy)benzylidene)-4-oxo-2-t...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C26H21NO5S2/c28-24(29)15-27-25(30)23(34-26(27)33)14-20-11-12-21(31-16-18-7-3-1-4-8-18)22(13-20)32-17-19-9-5-2-6-10-19/h1-14H,15-17H2,(H,28,29)/b23-14-
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n/an/a 2.30E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))
BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
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US Patent
n/an/a 2.70E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149757
PNG
(CHEMBL182729 | {5-[3-Benzyloxy-4-(4-methyl-benzylo...)
Show SMILES Cc1ccc(COc2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)cc2OCc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO5S2/c1-18-7-9-20(10-8-18)17-32-22-12-11-21(13-23(22)33-16-19-5-3-2-4-6-19)14-24-26(31)28(15-25(29)30)27(34)35-24/h2-14H,15-17H2,1H3,(H,29,30)/b24-14-
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n/an/a 2.70E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149738
PNG
(CHEMBL361337 | {5-[3-Benzyloxy-4-(4-methanesulfony...)
Show SMILES CS(=O)(=O)c1ccc(COc2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)cc2OCc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO7S3/c1-38(32,33)21-10-7-19(8-11-21)17-34-22-12-9-20(13-23(22)35-16-18-5-3-2-4-6-18)14-24-26(31)28(15-25(29)30)27(36)37-24/h2-14H,15-17H2,1H3,(H,29,30)/b24-14-
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n/an/a 3.20E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149732
PNG
(CHEMBL182806 | {5-[3-Benzyloxy-4-(4-methoxy-benzyl...)
Show SMILES COc1ccc(COc2ccc(\C=C3/SC(=S)N(CC(O)=O)C3=O)cc2OCc2ccccc2)cc1
Show InChI InChI=1S/C27H23NO6S2/c1-32-21-10-7-19(8-11-21)17-33-22-12-9-20(13-23(22)34-16-18-5-3-2-4-6-18)14-24-26(31)28(15-25(29)30)27(35)36-24/h2-14H,15-17H2,1H3,(H,29,30)/b24-14-
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n/an/a 3.40E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149763
PNG
(CHEMBL182172 | {4-Oxo-5-[1-[4-((S)-2-phenyl-propox...)
Show SMILES C[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149731
PNG
(CHEMBL360107 | {5-[1-{3-Benzyloxy-4-[2-(2,4-difluo...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccc(F)cc3F)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C27H21F2NO5S2/c28-20-8-7-19(21(29)14-20)10-11-34-22-9-6-18(12-23(22)35-16-17-4-2-1-3-5-17)13-24-26(33)30(15-25(31)32)27(36)37-24/h1-9,12-14H,10-11,15-16H2,(H,31,32)/b24-13-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149746
PNG
(CHEMBL365506 | {5-[1-{3-Benzyloxy-4-[2-(4-trifluor...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCCc3ccc(cc3)C(F)(F)F)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C28H22F3NO5S2/c29-28(30,31)21-9-6-18(7-10-21)12-13-36-22-11-8-20(14-23(22)37-17-19-4-2-1-3-5-19)15-24-26(35)32(16-25(33)34)27(38)39-24/h1-11,14-15H,12-13,16-17H2,(H,33,34)/b24-15-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149767
PNG
(CHEMBL181437 | {5-[1-[4-Benzyloxy-3-(3-chloro-benz...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3cccc(Cl)c3)c2)C1=O
Show InChI InChI=1S/C26H20ClNO5S2/c27-20-8-4-7-19(11-20)16-33-22-12-18(9-10-21(22)32-15-17-5-2-1-3-6-17)13-23-25(31)28(14-24(29)30)26(34)35-23/h1-13H,14-16H2,(H,29,30)/b23-13-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149750
PNG
(CHEMBL442780 | {5-[1-[4-Benzyloxy-3-(3,4-difluoro-...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3ccc(F)c(F)c3)c2)C1=O
Show InChI InChI=1S/C26H19F2NO5S2/c27-19-8-6-18(10-20(19)28)15-34-22-11-17(7-9-21(22)33-14-16-4-2-1-3-5-16)12-23-25(32)29(13-24(30)31)26(35)36-23/h1-12H,13-15H2,(H,30,31)/b23-12-
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n/an/a 4.20E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149751
PNG
(CHEMBL185129 | {5-[1-[3,4-Bis-(4-fluoro-benzyloxy)...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(F)cc3)c(OCc3ccc(F)cc3)c2)C1=O
Show InChI InChI=1S/C26H19F2NO5S2/c27-19-6-1-16(2-7-19)14-33-21-10-5-18(11-22(21)34-15-17-3-8-20(28)9-4-17)12-23-25(32)29(13-24(30)31)26(35)36-23/h1-12H,13-15H2,(H,30,31)/b23-12-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149728
PNG
(CHEMBL181903 | {5-[3,4-Bis-(2,4-difluoro-benzyloxy...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(F)cc3F)c(OCc3ccc(F)cc3F)c2)C1=O
Show InChI InChI=1S/C26H17F4NO5S2/c27-17-4-2-15(19(29)9-17)12-35-21-6-1-14(8-23-25(34)31(11-24(32)33)26(37)38-23)7-22(21)36-13-16-3-5-18(28)10-20(16)30/h1-10H,11-13H2,(H,32,33)/b23-8-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
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n/an/a 5.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))
BDBM111595
PNG
(US8624022, OGT4155)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(F)cc(c1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C28H28F4N4O3/c29-21-13-19(12-20(14-21)28(30,31)32)15-34-26(37)17-36(18-27(38)35-11-10-22(33)16-35)23-6-8-25(9-7-23)39-24-4-2-1-3-5-24/h1-9,12-14,22H,10-11,15-18,33H2,(H,34,37)/t22-/m0/s1
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n/an/a 5.40E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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n/an/a 5.60E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Neosartorya fumigata (Aspergillus fumigatus))
BDBM111593
PNG
(US8624022, OGT4165)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cccc(Oc2ccccc2)c1 |r|
Show InChI InChI=1S/C29H28F6N4O3/c30-28(31,32)20-11-19(12-21(13-20)29(33,34)35)15-37-26(40)17-39(18-27(41)38-10-9-22(36)16-38)23-5-4-8-25(14-23)42-24-6-2-1-3-7-24/h1-8,11-14,22H,9-10,15-18,36H2,(H,37,40)/t22-/m0/s1
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n/an/a 6.20E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149772
PNG
(CHEMBL182469 | {5-[3-Benzyloxy-4-(2,4-difluoro-ben...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccc(F)cc3F)c(OCc3ccccc3)c2)C1=O
Show InChI InChI=1S/C26H19F2NO5S2/c27-19-8-7-18(20(28)12-19)15-34-21-9-6-17(10-22(21)33-14-16-4-2-1-3-5-16)11-23-25(32)29(13-24(30)31)26(35)36-23/h1-12H,13-15H2,(H,30,31)/b23-11-
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n/an/a 6.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149775
PNG
(CHEMBL362647 | {5-[1-[4-Benzyloxy-3-(4-chloro-benz...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3ccc(Cl)cc3)c2)C1=O
Show InChI InChI=1S/C26H20ClNO5S2/c27-20-9-6-18(7-10-20)16-33-22-12-19(8-11-21(22)32-15-17-4-2-1-3-5-17)13-23-25(31)28(14-24(29)30)26(34)35-23/h1-13H,14-16H2,(H,29,30)/b23-13-
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n/an/a 7.00E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149753
PNG
(CHEMBL361547 | {5-[4-Benzyloxy-3-(3-methoxy-benzyl...)
Show SMILES COc1cccc(COc2cc(\C=C3/SC(=S)N(CC(O)=O)C3=O)ccc2OCc2ccccc2)c1
Show InChI InChI=1S/C27H23NO6S2/c1-32-21-9-5-8-20(12-21)17-34-23-13-19(10-11-22(23)33-16-18-6-3-2-4-7-18)14-24-26(31)28(15-25(29)30)27(35)36-24/h2-14H,15-17H2,1H3,(H,29,30)/b24-14-
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n/an/a 7.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))
BDBM111594
PNG
(US8624022, OGT4154)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(CC(=O)NCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C27H29ClN4O3/c28-21-6-4-5-20(15-21)16-30-26(33)18-32(19-27(34)31-14-13-22(29)17-31)23-9-11-25(12-10-23)35-24-7-2-1-3-8-24/h1-12,15,22H,13-14,16-19,29H2,(H,30,33)/t22-/m0/s1
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n/an/a 8.00E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase


(Candida albicans (Yeast))
BDBM111590
PNG
(US8624022, OGT4325)
Show SMILES N[C@H]1CCN(C1)C(=O)CN(C(=O)\C=C\c1ccccc1)c1ccc(cc1)-c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C28H26F3N3O3/c29-37(30)31-18-22-7-4-8-24(17-22)23-10-12-26(13-11-23)34(20-28(36)33-16-15-25(32)19-33)27(35)14-9-21-5-2-1-3-6-21/h1-14,17,25H,15-16,19-20,32H2/b14-9+/t25-/m0/s1
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n/an/a 8.50E+3n/an/an/an/a8.030



UCB Pharma, S.A.

US Patent


Assay Description
The glucan synthase assay follows the incorporation of tritiated UDP-glucose into acid insoluble β-glucan as catalysed by the glucan synthase ac...


US Patent US8624022 (2014)


BindingDB Entry DOI: 10.7270/Q2QF8RJX
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149761
PNG
(CHEMBL185299 | {5-[1-[4-Benzyloxy-3-(2,4-difluoro-...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3ccc(F)cc3F)c2)C1=O
Show InChI InChI=1S/C26H19F2NO5S2/c27-19-8-7-18(20(28)12-19)15-34-22-10-17(6-9-21(22)33-14-16-4-2-1-3-5-16)11-23-25(32)29(13-24(30)31)26(35)36-23/h1-12H,13-15H2,(H,30,31)/b23-11-
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n/an/a 8.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149740
PNG
(CHEMBL369345 | {5-[1-[3-Benzyloxy-4-((S)-2-phenyl-...)
Show SMILES C[C@H](COc1ccc(\C=C2/SC(=S)N(CC(O)=O)C2=O)cc1OCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H25NO5S2/c1-19(22-10-6-3-7-11-22)17-33-23-13-12-21(14-24(23)34-18-20-8-4-2-5-9-20)15-25-27(32)29(16-26(30)31)28(35)36-25/h2-15,19H,16-18H2,1H3,(H,30,31)/b25-15-/t19-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
Dolichyl-phosphate-mannose--protein mannosyltransferase 1


(Candida albicans)
BDBM50149747
PNG
(CHEMBL185513 | {5-[1-[4-Benzyloxy-3-(3-trifluorome...)
Show SMILES OC(=O)CN1C(=S)S\C(=C/c2ccc(OCc3ccccc3)c(OCc3cccc(c3)C(F)(F)F)c2)C1=O
Show InChI InChI=1S/C27H20F3NO5S2/c28-27(29,30)20-8-4-7-19(11-20)16-36-22-12-18(9-10-21(22)35-15-17-5-2-1-3-6-17)13-23-25(34)31(14-24(32)33)26(37)38-23/h1-13H,14-16H2,(H,32,33)/b23-13-
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n/an/a 1.10E+4n/an/an/an/an/an/a



Oxfordshire OX14 4YS

Curated by ChEMBL


Assay Description
In vitro inhibition of Candida albicans protein mannosyl transferase 1


Bioorg Med Chem Lett 14: 3975-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.050
BindingDB Entry DOI: 10.7270/Q22J6B96
More data for this
Ligand-Target Pair
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