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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50037270   
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
Adenosine deaminase


(Homo sapiens (human))
BDBM22920
PNG
(1-[(2R)-1-hydroxy-4-{6-[3-(1-methyl-1H-1,3-benzodi...)
Show SMILES Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(c4)C(N)=O)c3c2)nc2ccccc12
Show InChI InChI=1S/C27H29N7O3/c1-32-23-5-3-2-4-21(23)31-25(32)8-9-26(36)30-19-7-6-18-10-12-33(24(18)14-19)13-11-20(16-35)34-15-22(27(28)37)29-17-34/h2-7,10,12,14-15,17,20,35H,8-9,11,13,16H2,1H3,(H2,28,37)(H,30,36)/t20-/m1/s1
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7.70n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine deaminase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13976
PNG
(Aminobenzoic acid analog 5 | CHEMBL116605)
Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(=O)OC)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C34H37N3O11/c1-4-22-18-21(14-15-25(22)37(31(41)33(44)45)26-11-6-5-10-23(26)32(42)43)19-24(36-20(2)38)30(40)35-16-7-8-17-48-28-13-9-12-27(39)29(28)34(46)47-3/h5-6,9-15,18,24,39H,4,7-8,16-17,19H2,1-3H3,(H,35,40)(H,36,38)(H,42,43)(H,44,45)
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18n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Caspase-3


(Homo sapiens (human))
BDBM50149217
PNG
(5-{[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pyrimid...)
Show SMILES OC(=O)[C@H](NC(=O)c1cnc(CNS(=O)(=O)c2ccc(O)c(c2)C(O)=O)nc1)C=O
Show InChI InChI=1S/C16H14N4O9S/c21-7-11(16(26)27)20-14(23)8-4-17-13(18-5-8)6-19-30(28,29)9-1-2-12(22)10(3-9)15(24)25/h1-5,7,11,19,22H,6H2,(H,20,23)(H,24,25)(H,26,27)/t11-/m1/s1
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20n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Caspase-3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50149232
PNG
(3-(5-(2-acetamido-3-(4-(carboxy-N-(2-carboxyphenyl...)
Show SMILES CC(=O)NC(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)C(=O)NCCCCCOc1cc2ccccc2cc1C(O)=O
Show InChI InChI=1S/C40H37N3O10/c1-24(44)42-32(36(45)41-19-9-2-10-20-53-35-23-26-12-4-3-11-25(26)21-31(35)39(49)50)22-27-17-18-34(29-14-6-5-13-28(27)29)43(37(46)40(51)52)33-16-8-7-15-30(33)38(47)48/h3-8,11-18,21,23,32H,2,9-10,19-20,22H2,1H3,(H,41,45)(H,42,44)(H,47,48)(H,49,50)(H,51,52)
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22n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50147086
PNG
(8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMI...)
Show SMILES NC(=N)c1ccc2cccc(Nc3ncccn3)c2c1
Show InChI InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
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30n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50131555
PNG
(2-(4-(2-acetamido-3-(4-(1-carboxy-N-(2-carboxyphen...)
Show SMILES CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2cccc(O)c2C(O)=O)ccc1N(C(=O)C(O)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C33H35N3O11/c1-3-21-17-20(13-14-24(21)36(30(40)33(45)46)25-10-5-4-9-22(25)31(41)42)18-23(35-19(2)37)29(39)34-15-6-7-16-47-27-12-8-11-26(38)28(27)32(43)44/h4-5,8-14,17,23,38H,3,6-7,15-16,18H2,1-2H3,(H,34,39)(H,35,37)(H,41,42)(H,43,44)(H,45,46)
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42n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50149206
PNG
((S)-2-{4-[(R)-2-(2-Carboxy-ethylcarbamoyl)-pyrroli...)
Show SMILES OC(=O)CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m0/s1
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330n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity towards thymidylate synthase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50149214
PNG
(CHEMBL117368 | N*8*-Pyrimidin-2-yl-quinoline-2,8-d...)
Show SMILES Nc1ccc2cccc(Nc3ncccn3)c2n1
Show InChI InChI=1S/C13H11N5/c14-11-6-5-9-3-1-4-10(12(9)18-11)17-13-15-7-2-8-16-13/h1-8H,(H2,14,18)(H,15,16,17)
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370n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (human))
BDBM22919
PNG
(1-[1-hydroxy-4-(naphthalen-1-yl)butan-2-yl]-1H-imi...)
Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1cccc2ccccc12
Show InChI InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)
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680n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine deaminase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50149239
PNG
(2,4-Dioxo-6-phenylamino-1,2,3,4-tetrahydro-pyrimid...)
Show SMILES O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O
Show InChI InChI=1S/C17H14N4O3/c22-15(19-12-9-5-2-6-10-12)13-14(20-17(24)21-16(13)23)18-11-7-3-1-4-8-11/h1-10H,(H,19,22)(H3,18,20,21,23,24)
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720n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Affinity for c-Jun N-terminal kinase 3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13953
PNG
(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)
Show SMILES CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c2ccccc12)NC(C)=O
Show InChI InChI=1S/C29H31N3O7/c1-3-4-9-16-30-26(34)23(31-18(2)33)17-19-14-15-25(21-11-6-5-10-20(19)21)32(27(35)29(38)39)24-13-8-7-12-22(24)28(36)37/h5-8,10-15,23H,3-4,9,16-17H2,1-2H3,(H,30,34)(H,31,33)(H,36,37)(H,38,39)
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1.10E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine deaminase


(Homo sapiens (human))
BDBM50149224
PNG
(CHEMBL118106 | N-(4-{5-[(1H-Indol-2-ylamino)-methy...)
Show SMILES NC(N)=Nc1nc(cs1)-c1ccc(CNc2cc3ccccc3[nH]2)s1
Show InChI InChI=1S/C17H16N6S2/c18-16(19)23-17-22-13(9-24-17)14-6-5-11(25-14)8-20-15-7-10-3-1-2-4-12(10)21-15/h1-7,9,20-21H,8H2,(H4,18,19,22,23)
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1.20E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards adenosine deaminase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13971
PNG
(1:1 racemic mixture | 2-({4-[2-acetamido-2-(pentyl...)
Show SMILES CCCCCNC(=O)C(Cc1ccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c(CC)c1)NC(C)=O
Show InChI InChI=1S/C27H33N3O7/c1-4-6-9-14-28-24(32)21(29-17(3)31)16-18-12-13-22(19(5-2)15-18)30(25(33)27(36)37)23-11-8-7-10-20(23)26(34)35/h7-8,10-13,15,21H,4-6,9,14,16H2,1-3H3,(H,28,32)(H,29,31)(H,34,35)(H,36,37)
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1.20E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Caspase-3


(Homo sapiens (human))
BDBM50149205
PNG
(5-[5-((R)-1-Carboxy-2-oxo-ethylcarbamoyl)-pentylsu...)
Show SMILES OC(=O)[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc(O)c(c1)C(O)=O)C=O
Show InChI InChI=1S/C16H20N2O9S/c19-9-12(16(24)25)18-14(21)4-2-1-3-7-17-28(26,27)10-5-6-13(20)11(8-10)15(22)23/h5-6,8-9,12,17,20H,1-4,7H2,(H,18,21)(H,22,23)(H,24,25)/t12-/m1/s1
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2.80E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Caspase-3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13990
PNG
(5-{2-fluoro-5-[(1E)-3-[3-hydroxy-2-(methoxycarbony...)
Show SMILES COC(=O)c1c(O)cccc1OC\C=C\c1ccc(F)c(c1)-c1cc(no1)C(O)=O
Show InChI InChI=1S/C21H16FNO7/c1-28-21(27)19-16(24)5-2-6-17(19)29-9-3-4-12-7-8-14(22)13(10-12)18-11-15(20(25)26)23-30-18/h2-8,10-11,24H,9H2,1H3,(H,25,26)/b4-3+
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6.90E+3n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 10


(Homo sapiens (human))
BDBM50149200
PNG
(2-Pyridin-4-yl-thiazole-4-carboxylic acid (3-trifl...)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2csc(n2)-c2ccncc2)c1
Show InChI InChI=1S/C16H10F3N3OS/c17-16(18,19)11-2-1-3-12(8-11)21-14(23)13-9-24-15(22-13)10-4-6-20-7-5-10/h1-9H,(H,21,23)
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1.30E+4n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Affinity for c-Jun N-terminal kinase 3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Thymidylate Synthase (TS)


(Lactobacillus casei)
BDBM50149202
PNG
(4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-SULFONYL-D-PR...)
Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C17H20N2O9S/c20-14(21)8-7-12(16(23)24)18-15(22)10-3-5-11(6-4-10)29(27,28)19-9-1-2-13(19)17(25)26/h3-6,12-13H,1-2,7-9H2,(H,18,22)(H,20,21)(H,23,24)(H,25,26)/t12-,13+/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity towards thymidylate synthase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13952
PNG
(2-(Naphthalen-1-yloxalylamino)benzoic Acid | 2-(na...)
Show SMILES OC(=O)C(=O)N(c1ccccc1C(O)=O)c1cccc2ccccc12
Show InChI InChI=1S/C19H13NO5/c21-17(19(24)25)20(16-10-4-3-9-14(16)18(22)23)15-11-5-7-12-6-1-2-8-13(12)15/h1-11H,(H,22,23)(H,24,25)
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3.90E+4n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Urokinase-type plasminogen activator


(Homo sapiens (Human))
BDBM50149208
PNG
(2-Amino-quinolin-8-ol | CHEMBL119647)
Show SMILES Nc1ccc2cccc(O)c2n1
Show InChI InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
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5.60E+4n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards Urokinase-type plasminogen activator


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50133279
PNG
(5-(3-Butyrylamino-phenyl)-isoxazole-3-carboxylic a...)
Show SMILES CCCC(=O)Nc1cccc(c1)-c1cc(no1)C(O)=O
Show InChI InChI=1S/C14H14N2O4/c1-2-4-13(17)15-10-6-3-5-9(7-10)12-8-11(14(18)19)16-20-12/h3,5-8H,2,4H2,1H3,(H,15,17)(H,18,19)
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1.48E+5n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM13951
PNG
(2-[(2,3-Dimethylphenyl)oxalylamino]benzoic acid | ...)
Show SMILES Cc1cccc(N(C(=O)C(O)=O)c2ccccc2C(O)=O)c1C
Show InChI InChI=1S/C17H15NO5/c1-10-6-5-9-13(11(10)2)18(15(19)17(22)23)14-8-4-3-7-12(14)16(20)21/h3-9H,1-2H3,(H,20,21)(H,22,23)
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2.93E+5n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Protein-tyrosine phosphatase 1B


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Caspase-3


(Homo sapiens (human))
BDBM50149213
PNG
(2-Hydroxy-5-methylsulfamoyl-benzoic acid | CHEMBL1...)
Show SMILES CNS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C8H9NO5S/c1-9-15(13,14)5-2-3-7(10)6(4-5)8(11)12/h2-4,9-10H,1H3,(H,11,12)
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>1.00E+6n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Binding affinity against Caspase-3


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Thymidylate synthase


(Homo sapiens (human))
BDBM50149243
PNG
((R)-1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxyli...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C12H15NO4S/c1-9-4-6-10(7-5-9)18(16,17)13-8-2-3-11(13)12(14)15/h4-7,11H,2-3,8H2,1H3,(H,14,15)/t11-/m1/s1
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1.10E+6n/an/an/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Tested for binding affinity towards thymidylate synthase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50149212
PNG
(CHEMBL117521 | N-(1,2,3,4,8a,10a-Hexahydro-acridin...)
Show SMILES C(CCCNC1=C2CCCCC2=NC2C=CCC=C12)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C33H42N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,8,10,14,16,18,20,30,35H,1-3,5-7,9,11-13,15,17,19,21-23H2,(H,34,36)
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n/an/a 0.400n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acetylcholinesterase in rat brain


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM4994
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Show SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of influenza A viral enzyme neuraminidase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens)
BDBM50094703
PNG
(5-(3-Bromo-phenyl)-7-(6-morpholin-4-yl-pyridin-3-y...)
Show SMILES Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
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n/an/a 1.70n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against adenosine kinase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Mus musculus)
BDBM50149207
PNG
(2N-(2-{2-[2-(5-chloro-1H-2-indolylcarboxamido)etho...)
Show SMILES Clc1ccc2[nH]c(cc2c1)C(=O)NCCOCCOCCNC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C24H24Cl2N4O4/c25-17-1-3-19-15(11-17)13-21(29-19)23(31)27-5-7-33-9-10-34-8-6-28-24(32)22-14-16-12-18(26)2-4-20(16)30-22/h1-4,11-14,29-30H,5-10H2,(H,27,31)(H,28,32)
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n/an/a 6n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine kinase


(Homo sapiens)
BDBM50094704
PNG
(CHEMBL116872 | N*5*-(1H-Indol-3-ylmethyl)-7-(6-mor...)
Show SMILES Nc1ncnc2nc(cc(NCc3c[nH]c4ccccc34)c12)-c1ccc(nc1)N1CCOCC1
Show InChI InChI=1S/C25H24N8O/c26-24-23-21(28-14-17-13-27-19-4-2-1-3-18(17)19)11-20(32-25(23)31-15-30-24)16-5-6-22(29-12-16)33-7-9-34-10-8-33/h1-6,11-13,15,27H,7-10,14H2,(H3,26,28,30,31,32)
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n/an/a 10n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against adenosine kinase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50149219
PNG
(3-(3'-Cyanomethyl-biphenyl-4-yloxy)-N-hydroxy-prop...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1cccc(CC#N)c1
Show InChI InChI=1S/C17H16N2O3/c18-10-8-13-2-1-3-15(12-13)14-4-6-16(7-5-14)22-11-9-17(20)19-21/h1-7,12,21H,8-9,11H2,(H,19,20)
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n/an/a 15n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50149235
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C23H24N2O5S/c1-16-13-17(2)22(21(14-16)23(26)24-27)25(15-18-7-5-4-6-8-18)31(28,29)20-11-9-19(30-3)10-12-20/h4-14,27H,15H2,1-3H3,(H,24,26)
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n/an/a 15n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-13 (MMP-13)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50149216
PNG
(Benzofuran-2-carboxylic acid (2-{4-[benzyl-(2-hydr...)
Show SMILES Cc1cc(C)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OCCNC(=O)c3cc4ccccc4o3)cc2)c(c1)C(=O)NO
Show InChI InChI=1S/C33H31N3O7S/c1-22-18-23(2)31(28(19-22)32(37)35-39)36(21-24-8-4-3-5-9-24)44(40,41)27-14-12-26(13-15-27)42-17-16-34-33(38)30-20-25-10-6-7-11-29(25)43-30/h3-15,18-20,39H,16-17,21H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 17n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-13 (MMP-13)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098760
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(1H-...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3[nH]ccc3c2)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2S/c1-16(28)26-10-12-27(13-11-26)23(29)7-3-17-2-6-22(20(24)14-17)30-19-4-5-21-18(15-19)8-9-25-21/h2-9,14-15,25H,10-13H2,1H3/b7-3+
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n/an/a 20n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a 25n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM7684
PNG
(4-[2-(5-Chloro-2-oxo-1,2-dihydro-3H-indol-3-yliden...)
Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C14H11ClN4O3S/c15-8-1-6-12-11(7-8)13(14(20)17-12)19-18-9-2-4-10(5-3-9)23(16,21)22/h1-7,18H,(H2,16,21,22)(H,17,19,20)
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n/an/a 30n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-Dependent Kinase 2


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50098770
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[3-chloro-4-(2,3...)
Show SMILES CC(=O)N1CCN(CC1)C(=O)\C=C\c1ccc(Sc2ccc3OCCOc3c2)c(Cl)c1
Show InChI InChI=1S/C23H23ClN2O4S/c1-16(27)25-8-10-26(11-9-25)23(28)7-3-17-2-6-22(19(24)14-17)31-18-4-5-20-21(15-18)30-13-12-29-20/h2-7,14-15H,8-13H2,1H3/b7-3+
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n/an/a 40n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenylosuccinate synthetase 2


(Homo sapiens)
BDBM50149229
PNG
(5-((1R,5S,7R,8S,9R)-8,9-Dihydroxy-2,4-dioxo-7-phos...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]2(NC(=O)N(CCC[C@H](N(O)C=O)C(O)=O)C2=O)[C@@H]1O
Show InChI InChI=1S/C13H20N3O13P/c17-5-16(24)6(10(20)21)2-1-3-15-11(22)13(14-12(15)23)9(19)8(18)7(29-13)4-28-30(25,26)27/h5-9,18-19,24H,1-4H2,(H,14,23)(H,20,21)(H2,25,26,27)/t6-,7+,8+,9+,13-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens)
BDBM50149226
PNG
((E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-...)
Show SMILES CC(C)c1ccccc1SC1CC=C(\C=C\C(=O)N2CCN(CC2)C(C)=O)C=C1[N+]([O-])=O
Show InChI InChI=1S/C24H29N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-9,11,16-17,23H,10,12-15H2,1-3H3/b11-9+
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n/an/a 44n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Leukocyte function associated antigen 1 (LFA-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50149245
PNG
(2-[2-(3'-Cyanomethyl-biphenyl-4-sulfonyl)-ethoxy]-...)
Show SMILES ONC(=O)c1c(OCCS(=O)(=O)c2ccc(cc2)-c2cccc(CC#N)c2)ccc2ccccc12
Show InChI InChI=1S/C27H22N2O5S/c28-15-14-19-4-3-6-22(18-19)20-8-11-23(12-9-20)35(32,33)17-16-34-25-13-10-21-5-1-2-7-24(21)26(25)27(30)29-31/h1-13,18,31H,14,16-17H2,(H,29,30)
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n/an/a 62n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50149222
PNG
(9-Ethyl-9H-carbazole-3-carbaldehyde O-{2-[1-(3,4-d...)
Show SMILES CCn1c2ccccc2c2cc(\C=N/OCCO\N=C\c3ccc(O)c(O)c3)ccc12
Show InChI InChI=1S/C24H23N3O4/c1-2-27-21-6-4-3-5-19(21)20-13-17(7-9-22(20)27)15-25-30-11-12-31-26-16-18-8-10-23(28)24(29)14-18/h3-10,13-16,28-29H,2,11-12H2,1H3/b25-15-,26-16+
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n/an/a 64n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of c-Src tyrosine kinase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM50149235
PNG
(2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(C)cc(C)cc1C(=O)NO
Show InChI InChI=1S/C23H24N2O5S/c1-16-13-17(2)22(21(14-16)23(26)24-27)25(15-18-7-5-4-6-8-18)31(28,29)20-11-9-19(30-3)10-12-20/h4-14,27H,15H2,1-3H3,(H,24,26)
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n/an/a 82n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-1 (MMP-1)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM5234
PNG
((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-ylamino...)
Show SMILES CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C14H25N3O3/c1-4-10(5-2)17-12-7-9(14(19)20)6-11(15)13(12)16-8(3)18/h7,10-13,17H,4-6,15H2,1-3H3,(H,16,18)(H,19,20)/t11-,12+,13+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of influenza A viral enzyme neuraminidase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Mus musculus)
BDBM50065965
PNG
(5-Chloro-1H-indole-2-carboxylic acid ((1S,2R)-1-be...)
Show SMILES CN(C)C(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C21H22ClN3O3/c1-25(2)21(28)19(26)17(10-13-6-4-3-5-7-13)24-20(27)18-12-14-11-15(22)8-9-16(14)23-18/h3-9,11-12,17,19,23,26H,10H2,1-2H3,(H,24,27)/t17-,19+/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against glycogen phosphorylase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50149230
PNG
(3-(Biphenyl-4-yloxy)-N-hydroxy-propionamide | CHEM...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C15H15NO3/c17-15(16-18)10-11-19-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,16,17)
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n/an/a 310n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50149220
PNG
(2-[2-(4'-Cyano-biphenyl-4-yloxy)-ethoxy]-naphthale...)
Show SMILES CONC(=O)c1c(OCCOc2ccc(cc2)-c2ccc(cc2)C#N)ccc2ccccc12
Show InChI InChI=1S/C27H22N2O4/c1-31-29-27(30)26-24-5-3-2-4-22(24)12-15-25(26)33-17-16-32-23-13-10-21(11-14-23)20-8-6-19(18-28)7-9-20/h2-15H,16-17H2,1H3,(H,29,30)
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n/an/a 340n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-3 (MMP-3)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM50149204
PNG
(CHEMBL323618 | N-Phenyl-N'-(1,2,3,4-tetrahydro-acr...)
Show SMILES C(CCCNc1ccccc1)CCCNc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C26H33N3/c1(2-11-19-27-21-13-5-4-6-14-21)3-12-20-28-26-22-15-7-9-17-24(22)29-25-18-10-8-16-23(25)26/h4-7,9,13-15,17,27H,1-3,8,10-12,16,18-20H2,(H,28,29)
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n/an/a 390n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acetylcholinesterase in rat brain


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Rattus norvegicus (rat))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 590n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Acetylcholinesterase in rat brain


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenylosuccinate synthetase 2


(Homo sapiens)
BDBM50149203
PNG
(CHEMBL323799 | HYDANTOCIDIN-5'-MONOPHOSPHATE | HYD...)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@]2(NC(=O)NC2=O)[C@@H]1O
Show InChI InChI=1S/C7H11N2O9P/c10-3-2(1-17-19(14,15)16)18-7(4(3)11)5(12)8-6(13)9-7/h2-4,10-11H,1H2,(H2,14,15,16)(H2,8,9,12,13)/t2-,3-,4-,7+/m1/s1
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n/an/a 675n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Neuraminidase A


(Influenza A virus (A/Puerto Rico/8/34/Mount Sinai(...)
BDBM50149227
PNG
((3R,4R,5S)-4-Acetylamino-5-amino-3-(3-phenyl-propy...)
Show SMILES CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1NCCCc1ccccc1)C(O)=O
Show InChI InChI=1S/C18H25N3O3/c1-12(22)21-17-15(19)10-14(18(23)24)11-16(17)20-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,11,15-17,20H,5,8-10,19H2,1H3,(H,21,22)(H,23,24)/t15-,16+,17+/m0/s1
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n/an/a 1.64E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of influenza A viral enzyme neuraminidase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Adenylosuccinate synthetase 2


(Homo sapiens)
BDBM50149248
PNG
((Formyl-hydroxy-amino)-acetic acid | CHEMBL331373 ...)
Show SMILES ON(CC(O)=O)C=O
Show InChI InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibitory concentration against Adenylosuccinate synthetase


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50149234
PNG
(Benzofuran-2-carboxylic acid (4-morpholin-4-yl-but...)
Show SMILES O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1
Show InChI InChI=1S/C17H22N2O3/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19/h1-2,5-6,13H,3-4,7-12H2,(H,18,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Sunesis Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metalloprotease-13 (MMP-13)


J Med Chem 47: 3463-82 (2004)


Article DOI: 10.1021/jm040031v
BindingDB Entry DOI: 10.7270/Q2NC61ZJ
More data for this
Ligand-Target Pair
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