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Compile Data Set for Download or QSAR

Found 85 hits with Last Name = 'parveen' and Initial = 's'   
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
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178811
PNG
(CHEMBL199020 | N-(3-aminopropyl)-4-tert-butyl-N,N-...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN
Show InChI InChI=1S/C15H27N2/c1-15(2,3)13-7-9-14(10-8-13)17(4,5)12-6-11-16/h7-10H,6,11-12,16H2,1-5H3/q+1
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150n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178803
PNG
(3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1
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180n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178803
PNG
(3,4-dichloro-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES C[N+](C)(CCCN1c2ccccc2Sc2ccc(Cl)cc12)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H22Cl3N2S/c1-28(2,17-9-10-18(25)19(26)15-17)13-5-12-27-20-6-3-4-7-22(20)29-23-11-8-16(24)14-21(23)27/h3-4,6-11,14-15H,5,12-13H2,1-2H3/q+1
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440n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178809
PNG
(4-tert-butyl-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1
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570n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178807
PNG
(3,4-dichloro-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C23H24Cl3N2S/c1-28(2,18-10-11-20(25)21(26)16-18)14-6-13-27-22-15-17(24)9-12-23(22)29-19-7-4-3-5-8-19/h3-5,7-12,15-16,27H,6,13-14H2,1-2H3/q+1
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1.69E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178802
PNG
(4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1
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2.67E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178805
PNG
(CHEMBL436292 | N-benzhydryl-3-(5-chloro-2-(phenylt...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C30H32ClN2S/c1-33(2,30(24-13-6-3-7-14-24)25-15-8-4-9-16-25)22-12-21-32-28-23-26(31)19-20-29(28)34-27-17-10-5-11-18-27/h3-11,13-20,23,30,32H,12,21-22H2,1-2H3/q+1
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5.30E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178802
PNG
(4-tert-butyl-N-(3-(5-chloro-2-(phenylthio)phenylam...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCNc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C27H34ClN2S/c1-27(2,3)21-12-15-23(16-13-21)30(4,5)19-9-18-29-25-20-22(28)14-17-26(25)31-24-10-7-6-8-11-24/h6-8,10-17,20,29H,9,18-19H2,1-5H3/q+1
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6.50E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178804
PNG
(4-(benzyloxy)-N-(3-(5-chloro-2-(phenylthio)phenyla...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C30H32ClN2OS/c1-33(2,26-15-17-27(18-16-26)34-23-24-10-5-3-6-11-24)21-9-20-32-29-22-25(31)14-19-30(29)35-28-12-7-4-8-13-28/h3-8,10-19,22,32H,9,20-21,23H2,1-2H3/q+1
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6.60E+3n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178810
PNG
(CHEMBL371088 | N-(5-chloro-2-(phenylthio)phenyl)bu...)
Show SMILES CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)
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1.13E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178814
PNG
(CHEMBL199067 | N-(3-(5-chloro-2-(phenylthio)phenyl...)
Show SMILES C[N+](C)(CCCNc1cc(Cl)ccc1Sc1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H26ClN2S/c1-26(2,20-10-5-3-6-11-20)17-9-16-25-22-18-19(24)14-15-23(22)27-21-12-7-4-8-13-21/h3-8,10-15,18,25H,9,16-17H2,1-2H3/q+1
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1.42E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178808
PNG
(CHEMBL372379 | N-(5-chloro-2-(phenylthio)phenyl)pr...)
Show SMILES CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)
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2.00E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178801
PNG
(CHEMBL198590 | N-(5-chloro-2-(phenylthio)phenyl)be...)
Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)c2ccccc2)c1
Show InChI InChI=1S/C19H14ClNOS/c20-15-11-12-18(23-16-9-5-2-6-10-16)17(13-15)21-19(22)14-7-3-1-4-8-14/h1-13H,(H,21,22)
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2.45E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178812
PNG
(CHEMBL197131 | N-(5-chloro-2-(phenylthio)phenyl)-2...)
Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
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2.46E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178806
PNG
(CHEMBL370195 | N-(5-chloro-2-(phenylthio)phenyl)-4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C19H13ClN2O3S/c20-14-8-11-18(26-16-4-2-1-3-5-16)17(12-14)21-19(23)13-6-9-15(10-7-13)22(24)25/h1-12H,(H,21,23)
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4.28E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178809
PNG
(4-tert-butyl-N-(3-(2-chloro-10H-phenothiazin-10-yl...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C27H32ClN2S/c1-27(2,3)20-11-14-22(15-12-20)30(4,5)18-8-17-29-23-9-6-7-10-25(23)31-26-16-13-21(28)19-24(26)29/h6-7,9-16,19H,8,17-18H2,1-5H3/q+1
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6.60E+4n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Linear competitive inhibition of trypanothione reductase from Trypanosoma cruzi using (ZCG.dmapa)2 substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178813
PNG
(2-amino-4-chloro-phenyl phenyl sulfide | CHEMBL197...)
Show SMILES Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C12H10ClNS/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8H,14H2
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1.50E+5n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132450
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H17N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H2,20,24,25)/b16-7-
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n/an/a 5n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132447
PNG
(5-[5-Methoxy-3-(2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCCC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C23H23N3O6S/c1-32-15-5-8-21-17(11-15)14(13-26(21)9-3-2-4-22(27)28)10-19-18-12-16(33(24,30)31)6-7-20(18)25-23(19)29/h5-8,10-13H,2-4,9H2,1H3,(H,25,29)(H,27,28)(H2,24,30,31)/b19-10-
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n/an/a 11n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132443
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(N)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-31-14-4-7-20-16(10-14)13(12-26(20)8-2-3-21(23)27)9-18-17-11-15(32(24,29)30)5-6-19(17)25-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H2,23,27)(H,25,28)(H2,24,29,30)/b18-9-
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n/an/a 12n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132436
PNG
(3-((1-methyl-1H-indol-3-yl)methylene)-2-oxoindolin...)
Show SMILES Cn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2ccccc12
Show InChI InChI=1S/C18H15N3O3S/c1-21-10-11(13-4-2-3-5-17(13)21)8-15-14-9-12(25(19,23)24)6-7-16(14)20-18(15)22/h2-10H,1H3,(H,20,22)(H2,19,23,24)/b15-8-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132434
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(CCCC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C22H21N3O6S/c1-31-14-4-7-20-16(10-14)13(12-25(20)8-2-3-21(26)27)9-18-17-11-15(32(23,29)30)5-6-19(17)24-22(18)28/h4-7,9-12H,2-3,8H2,1H3,(H,24,28)(H,26,27)(H2,23,29,30)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132433
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C20H19N3O4S/c1-21-28(25,26)14-5-6-18-16(10-14)17(20(24)22-18)8-12-11-23(2)19-7-4-13(27-3)9-15(12)19/h4-11,21H,1-3H3,(H,22,24)/b17-8-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132457
PNG
(3-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES COc1ccc2n(Cc3cccc(c3)C(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C26H21N3O6S/c1-35-18-5-8-24-20(11-18)17(14-29(24)13-15-3-2-4-16(9-15)26(31)32)10-22-21-12-19(36(27,33)34)6-7-23(21)28-25(22)30/h2-12,14H,13H2,1H3,(H,28,30)(H,31,32)(H2,27,33,34)/b22-10-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132445
PNG
(3-[1-(5-Methoxy-1H-indol-3-yl)-meth-(Z)-ylidene]-2...)
Show SMILES COc1ccc2[nH]cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C18H15N3O4S/c1-25-11-2-4-16-13(7-11)10(9-20-16)6-15-14-8-12(26(19,23)24)3-5-17(14)21-18(15)22/h2-9,20H,1H3,(H,21,22)(H2,19,23,24)/b15-6-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132437
PNG
(3-((1-(3-hydroxypropyl)-5-methoxy-1H-indol-3-yl)me...)
Show SMILES COc1ccc2n(CCCO)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C21H21N3O5S/c1-29-14-3-6-20-16(10-14)13(12-24(20)7-2-8-25)9-18-17-11-15(30(22,27)28)4-5-19(17)23-21(18)26/h3-6,9-12,25H,2,7-8H2,1H3,(H,23,26)(H2,22,27,28)/b18-9-
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n/an/a 32n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by modified Ellman method


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132441
PNG
(3-(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCCC(N)=O)c2c1
Show InChI InChI=1S/C22H22N4O5S/c1-26-12-13(16-10-14(31-2)3-6-20(16)26)9-18-17-11-15(4-5-19(17)25-22(18)28)32(29,30)24-8-7-21(23)27/h3-6,9-12,24H,7-8H2,1-2H3,(H2,23,27)(H,25,28)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132448
PNG
(2-[3-(5-Methoxy-1-methyl-1H-indol-3-ylmethylene)-2...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(N)=O)c2c1
Show InChI InChI=1S/C21H20N4O5S/c1-25-11-12(15-8-13(30-2)3-6-19(15)25)7-17-16-9-14(4-5-18(16)24-21(17)27)31(28,29)23-10-20(22)26/h3-9,11,23H,10H2,1-2H3,(H2,22,26)(H,24,27)/b17-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132456
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES CCNS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C21H21N3O4S/c1-4-22-29(26,27)15-6-7-19-17(11-15)18(21(25)23-19)9-13-12-24(2)20-8-5-14(28-3)10-16(13)20/h5-12,22H,4H2,1-3H3,(H,23,25)/b18-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132453
PNG
(3-[1-(1H-Indol-3-yl)-meth-(Z)-ylidene]-2-oxo-2,3-d...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1
Show InChI InChI=1S/C17H13N3O3S/c18-24(22,23)11-5-6-16-13(8-11)14(17(21)20-16)7-10-9-19-15-4-2-1-3-12(10)15/h1-9,19H,(H,20,21)(H2,18,22,23)/b14-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132449
PNG
(3-((1-(4-morpholino-4-oxobutyl)-1H-indol-3-yl)meth...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(CCCC(=O)N4CCOCC4)c4ccccc34)c2c1
Show InChI InChI=1S/C25H26N4O5S/c26-35(32,33)18-7-8-22-20(15-18)21(25(31)27-22)14-17-16-29(23-5-2-1-4-19(17)23)9-3-6-24(30)28-10-12-34-13-11-28/h1-2,4-5,7-8,14-16H,3,6,9-13H2,(H,27,31)(H2,26,32,33)/b21-14-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132451
PNG
(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-N-...)
Show SMILES CNC(=O)c1ccc2NC(=O)\C(=C/c3cn(C)c4ccc(OC)cc34)c2c1
Show InChI InChI=1S/C21H19N3O3/c1-22-20(25)12-4-6-18-16(8-12)17(21(26)23-18)9-13-11-24(2)19-7-5-14(27-3)10-15(13)19/h4-11H,1-3H3,(H,22,25)(H,23,26)/b17-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132452
PNG
(4-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C24H25N3O6S/c1-3-33-23(28)5-4-10-27-14-15(18-12-16(32-2)6-9-22(18)27)11-20-19-13-17(34(25,30)31)7-8-21(19)26-24(20)29/h6-9,11-14H,3-5,10H2,1-2H3,(H,26,29)(H2,25,30,31)/b20-11-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132435
PNG
(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)-2-...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)C(O)=O)c2c1
Show InChI InChI=1S/C20H16N2O4/c1-22-10-12(14-9-13(26-2)4-6-18(14)22)8-16-15-7-11(20(24)25)3-5-17(15)21-19(16)23/h3-10H,1-2H3,(H,21,23)(H,24,25)/b16-8-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132454
PNG
(6-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C26H29N3O6S/c1-3-35-25(30)7-5-4-6-12-29-16-17(20-14-18(34-2)8-11-24(20)29)13-22-21-15-19(36(27,32)33)9-10-23(21)28-26(22)31/h8-11,13-16H,3-7,12H2,1-2H3,(H,28,31)(H2,27,32,33)/b22-13-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178811
PNG
(CHEMBL199020 | N-(3-aminopropyl)-4-tert-butyl-N,N-...)
Show SMILES CC(C)(C)c1ccc(cc1)[N+](C)(C)CCCN
Show InChI InChI=1S/C15H27N2/c1-15(2,3)13-7-9-14(10-8-13)17(4,5)12-6-11-16/h7-10H,6,11-12,16H2,1-5H3/q+1
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibitory activity aganist trypanothione reductase from Trypanosoma cruzi using 0.12 mM TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132438
PNG
(2-Oxo-3-[1-[1-(4-oxo-4-piperidin-1-yl-butyl)-1H-in...)
Show SMILES NS(=O)(=O)c1ccc2NC(=O)\C(=C/c3cn(CCCC(=O)N4CCCCC4)c4ccccc34)c2c1
Show InChI InChI=1S/C26H28N4O4S/c27-35(33,34)19-10-11-23-21(16-19)22(26(32)28-23)15-18-17-30(24-8-3-2-7-20(18)24)14-6-9-25(31)29-12-4-1-5-13-29/h2-3,7-8,10-11,15-17H,1,4-6,9,12-14H2,(H,28,32)(H2,27,33,34)/b22-15-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132432
PNG
(2-(3-((5-methoxy-1-methyl-1H-indol-3-yl)methylene)...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(O)=O)c2c1
Show InChI InChI=1S/C21H19N3O6S/c1-24-11-12(15-8-13(30-2)3-6-19(15)24)7-17-16-9-14(4-5-18(16)23-21(17)27)31(28,29)22-10-20(25)26/h3-9,11,22H,10H2,1-2H3,(H,23,27)(H,25,26)/b17-7-
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n/an/a 658n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132444
PNG
(5-{5-Methoxy-3-[2-oxo-5-sulfamoyl-1,2-dihydro-indo...)
Show SMILES CCOC(=O)CCCCn1cc(\C=C2/C(=O)Nc3ccc(cc23)S(N)(=O)=O)c2cc(OC)ccc12
Show InChI InChI=1S/C25H27N3O6S/c1-3-34-24(29)6-4-5-11-28-15-16(19-13-17(33-2)7-10-23(19)28)12-21-20-14-18(35(26,31)32)8-9-22(20)27-25(21)30/h7-10,12-15H,3-6,11H2,1-2H3,(H,27,30)(H2,26,31,32)/b21-12-
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n/an/a 678n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132440
PNG
(2-(5-methoxy-3-((2-oxo-5-sulfamoylindolin-3-yliden...)
Show SMILES COc1ccc2n(CC(O)=O)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C20H17N3O6S/c1-29-12-2-5-18-14(7-12)11(9-23(18)10-19(24)25)6-16-15-8-13(30(21,27)28)3-4-17(15)22-20(16)26/h2-9H,10H2,1H3,(H,22,26)(H,24,25)(H2,21,27,28)/b16-6-
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n/an/a 850n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50004000
PNG
((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...)
Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|
Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1
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n/an/a 857n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin)


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132439
PNG
(3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-y...)
Show SMILES COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)NCC(C)C)c2c1
Show InChI InChI=1S/C23H25N3O4S/c1-14(2)12-24-31(28,29)17-6-7-21-19(11-17)20(23(27)25-21)9-15-13-26(3)22-8-5-16(30-4)10-18(15)22/h5-11,13-14,24H,12H2,1-4H3,(H,25,27)/b20-9-
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n/an/a 937n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132446
PNG
(CHEMBL104583 | tert-butyl 2-(5-methoxy-3-((2-oxo-5...)
Show SMILES COc1ccc2n(CC(=O)OC(C)(C)C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C24H25N3O6S/c1-24(2,3)33-22(28)13-27-12-14(17-10-15(32-4)5-8-21(17)27)9-19-18-11-16(34(25,30)31)6-7-20(18)26-23(19)29/h5-12H,13H2,1-4H3,(H,26,29)(H2,25,30,31)/b19-9-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50132442
PNG
(3-(5-Methoxy-1-methyl-1H-indol-3-ylmethyl)-2-oxo-2...)
Show SMILES COc1ccc2n(C)cc(CC3C(=O)Nc4ccc(cc34)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H19N3O4S/c1-22-10-11(14-8-12(26-2)3-6-18(14)22)7-16-15-9-13(27(20,24)25)4-5-17(15)21-19(16)23/h3-6,8-10,16H,7H2,1-2H3,(H,21,23)(H2,20,24,25)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against human Syk protein tyrosine kinase expressed in yeast Klyveromyces lactis


Bioorg Med Chem Lett 13: 3111-4 (2003)


BindingDB Entry DOI: 10.7270/Q2ZG6SS7
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178810
PNG
(CHEMBL371088 | N-(5-chloro-2-(phenylthio)phenyl)bu...)
Show SMILES CCCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C16H16ClNOS/c1-2-6-16(19)18-14-11-12(17)9-10-15(14)20-13-7-4-3-5-8-13/h3-5,7-11H,2,6H2,1H3,(H,18,19)
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n/an/a 3.05E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50250634
PNG
(CHEMBL466169 | [(20S)-20-(dimethylamino)-3-beta-(2...)
Show SMILES C\C=C(/C)C(=O)N[C@H]1CC[C@]2(O)CC3=CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]3CC[C@H]2C1(C)C)[C@H](C)N(C)C |r,t:13|
Show InChI InChI=1S/C31H52N2O2/c1-10-20(2)27(34)32-26-15-18-31(35)19-22-13-16-29(6)23(21(3)33(8)9)14-17-30(29,7)24(22)11-12-25(31)28(26,4)5/h10,13,21,23-26,35H,11-12,14-19H2,1-9H3,(H,32,34)/b20-10+/t21-,23+,24+,25-,26-,29+,30-,31-/m0/s1
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n/an/a 3.12E+4n/an/an/an/an/an/a



University of Karachi

Curated by ChEMBL


Assay Description
Inhibition of BChE (unknown origin)


J Nat Prod 66: 739-42 (2003)


Article DOI: 10.1021/np020446o
BindingDB Entry DOI: 10.7270/Q2862G6D
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178808
PNG
(CHEMBL372379 | N-(5-chloro-2-(phenylthio)phenyl)pr...)
Show SMILES CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C15H14ClNOS/c1-2-15(18)17-13-10-11(16)8-9-14(13)19-12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,17,18)
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n/an/a 3.16E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178812
PNG
(CHEMBL197131 | N-(5-chloro-2-(phenylthio)phenyl)-2...)
Show SMILES Clc1ccc(Sc2ccccc2)c(NC(=O)Cc2ccccc2)c1
Show InChI InChI=1S/C20H16ClNOS/c21-16-11-12-19(24-17-9-5-2-6-10-17)18(14-16)22-20(23)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,23)
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n/an/a 3.68E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
Trypanothione reductase


(Trypanosoma cruzi)
BDBM50178806
PNG
(CHEMBL370195 | N-(5-chloro-2-(phenylthio)phenyl)-4...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1cc(Cl)ccc1Sc1ccccc1
Show InChI InChI=1S/C19H13ClN2O3S/c20-14-8-11-18(26-16-4-2-1-3-5-16)17(12-14)21-19(23)13-6-9-15(10-7-13)22(24)25/h1-12H,(H,21,23)
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n/an/a 4.45E+4n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Mixed inhibition of trypanothione reductase from Trypanosoma cruzi using TSST substrate


J Med Chem 48: 8087-97 (2005)


Article DOI: 10.1021/jm050819t
BindingDB Entry DOI: 10.7270/Q2V69J65
More data for this
Ligand-Target Pair
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