Found 100 hits with Last Name = 'cheruvallath' and Initial = 'zs' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212258
(GS-4997 | Selonsertib)Show SMILES CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(c(C)cc2F)-n2cnc(c2)C2CC2)n1 Show InChI InChI=1S/C24H24FN7O/c1-14(2)32-13-27-30-23(32)19-5-4-6-22(28-19)29-24(33)17-10-21(15(3)9-18(17)25)31-11-20(26-12-31)16-7-8-16/h4-6,9-14,16H,7-8H2,1-3H3,(H,28,29,33) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212260
(CHEMBL3954836)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O3/c1-13(2)29-16-8-7-15-10-25(21(28)17(15)9-16)19-6-4-5-18(23-19)20-24-22-12-26(20)14(3)11-27/h4-9,12-14,27H,10-11H2,1-3H3/t14-/m1/s1 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212261
(CHEMBL3946139)Show SMILES CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O |r| Show InChI InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1 | PDB
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212254
(CHEMBL3975466)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO |r| Show InChI InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212256
(CHEMBL3966978)Show SMILES COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O3/c1-14(2)26-13-22-24-20(26)18-5-4-6-19(23-18)25-12-15-7-8-16(29-10-9-28-3)11-17(15)21(25)27/h4-8,11,13-14H,9-10,12H2,1-3H3 | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212280
(CHEMBL3962015)Show SMILES C[C@H](CO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C18H17N5O2/c1-12(10-24)23-11-19-21-17(23)15-7-4-8-16(20-15)22-9-13-5-2-3-6-14(13)18(22)25/h2-8,11-12,24H,9-10H2,1H3/t12-/m1/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212284
(CHEMBL3925645)Show InChI InChI=1S/C18H16FN5O/c1-12(9-19)24-11-20-22-17(24)15-7-4-8-16(21-15)23-10-13-5-2-3-6-14(13)18(23)25/h2-8,11-12H,9-10H2,1H3 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212270
(CHEMBL3952214)Show InChI InChI=1S/C18H17N5O/c1-12(2)23-11-19-21-17(23)15-8-5-9-16(20-15)22-10-13-6-3-4-7-14(13)18(22)24/h3-9,11-12H,10H2,1-2H3 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212262
(CHEMBL3937245)Show SMILES CC(C)Oc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1C(C)C Show InChI InChI=1S/C21H23N5O2/c1-13(2)26-12-22-24-20(26)18-6-5-7-19(23-18)25-11-15-8-9-16(28-14(3)4)10-17(15)21(25)27/h5-10,12-14H,11H2,1-4H3 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212263
(CHEMBL3928256)Show InChI InChI=1S/C19H16N6O/c1-13(9-10-20)25-12-21-23-18(25)16-7-4-8-17(22-16)24-11-14-5-2-3-6-15(14)19(24)26/h2-8,12-13H,9,11H2,1H3 | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212257
(CHEMBL3943495)Show SMILES CC[C@H](C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C19H19N5O/c1-3-13(2)24-12-20-22-18(24)16-9-6-10-17(21-16)23-11-14-7-4-5-8-15(14)19(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m0/s1 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212278
(CHEMBL3934521)Show SMILES C[C@@H](CO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C18H17N5O2/c1-12(10-24)23-11-19-21-17(23)15-7-4-8-16(20-15)22-9-13-5-2-3-6-14(13)18(22)25/h2-8,11-12,24H,9-10H2,1H3/t12-/m0/s1 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212259
(CHEMBL3953259)Show InChI InChI=1S/C19H19N5O2/c1-13(9-10-25)24-12-20-22-18(24)16-7-4-8-17(21-16)23-11-14-5-2-3-6-15(14)19(23)26/h2-8,12-13,25H,9-11H2,1H3 | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212265
(CHEMBL3890544)Show SMILES CC[C@@H](C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O |r| Show InChI InChI=1S/C19H19N5O/c1-3-13(2)24-12-20-22-18(24)16-9-6-10-17(21-16)23-11-14-7-4-5-8-15(14)19(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m1/s1 | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212285
(CHEMBL3891901)Show InChI InChI=1S/C18H18FN5O/c1-11(2)24-10-20-23-17(24)15-5-4-6-16(21-15)22-18(25)13-8-7-12(3)9-14(13)19/h4-11H,1-3H3,(H,21,22,25) | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212255
(CHEMBL3960900)Show InChI InChI=1S/C17H17N5O/c1-12(2)22-11-18-21-16(22)14-9-6-10-15(19-14)20-17(23)13-7-4-3-5-8-13/h3-12H,1-2H3,(H,19,20,23) | PDB
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Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212279
(CHEMBL3955870)Show InChI InChI=1S/C19H17N5O2/c25-19-15-5-2-1-4-13(15)10-24(19)17-7-3-6-16(21-17)18-22-20-12-23(18)11-14-8-9-26-14/h1-7,12,14H,8-11H2 | PDB
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| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 5
(Homo sapiens (Human)) | BDBM50212282
(CHEMBL3981026)Show SMILES Cc1cc(F)c(cc1-n1cnc(c1)C1CC1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C19H17FN4O/c1-12-8-15(20)14(19(25)23-18-4-2-3-7-21-18)9-17(12)24-10-16(22-11-24)13-5-6-13/h2-4,7-11,13H,5-6H2,1H3,(H,21,23,25) | PDB
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| n/a | n/a | 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human N-terminal GST-tagged ASK1 catalytic domain (654 to 971 residues) expressed in baculovirus infected sf21 cells using ... |
ACS Med Chem Lett 8: 316-320 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00481
BindingDB Entry DOI: 10.7270/Q2BC41QV |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431731
(CHEMBL2346751)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCC1)C(=O)Nc1ncc(Cl)s1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C20H24ClN3O4S2/c1-12-8-15(30(27,28)14-6-7-14)10-18(25)24(12)16(9-13-4-2-3-5-13)19(26)23-20-22-11-17(21)29-20/h8,10-11,13-14,16H,2-7,9H2,1H3,(H,22,23,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431732
(CHEMBL2346752)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCCO1)C(=O)Nc1ncc(Cl)s1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C20H24ClN3O5S2/c1-12-8-15(31(27,28)14-5-6-14)10-18(25)24(12)16(9-13-4-2-3-7-29-13)19(26)23-20-22-11-17(21)30-20/h8,10-11,13-14,16H,2-7,9H2,1H3,(H,22,23,26)/t13?,16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431733
(CHEMBL2346756)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCC1)C(=O)Nc1ncc(F)s1)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C20H24FN3O4S2/c1-12-8-15(30(27,28)14-6-7-14)10-18(25)24(12)16(9-13-4-2-3-5-13)19(26)23-20-22-11-17(21)29-20/h8,10-11,13-14,16H,2-7,9H2,1H3,(H,22,23,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431734
(CHEMBL2346755)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCCO1)C(=O)Nc1ncc(F)s1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C22H28FN3O5S2/c1-14-10-17(33(29,30)16-7-2-3-8-16)12-20(27)26(14)18(11-15-6-4-5-9-31-15)21(28)25-22-24-13-19(23)32-22/h10,12-13,15-16,18H,2-9,11H2,1H3,(H,24,25,28)/t15?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 500 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431735
(CHEMBL2346754)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCCO1)C(=O)Nc1ncc(Cl)s1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C22H28ClN3O5S2/c1-14-10-17(33(29,30)16-7-2-3-8-16)12-20(27)26(14)18(11-15-6-4-5-9-31-15)21(28)25-22-24-13-19(23)32-22/h10,12-13,15-16,18H,2-9,11H2,1H3,(H,24,25,28)/t15?,18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431736
(CHEMBL2346753)Show SMILES CCCCC(C(=O)Nc1nccs1)n1c(C)cc(cc1=O)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C20H27N3O4S2/c1-3-4-9-17(19(25)22-20-21-10-11-28-20)23-14(2)12-16(13-18(23)24)29(26,27)15-7-5-6-8-15/h10-13,15,17H,3-9H2,1-2H3,(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431737
(CHEMBL2346757)Show SMILES Cc1cc(cc(=O)n1C(CC1CCCCO1)C(=O)Nc1nccs1)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C22H29N3O5S2/c1-15-12-18(32(28,29)17-7-2-3-8-17)14-20(26)25(15)19(13-16-6-4-5-10-30-16)21(27)24-22-23-9-11-31-22/h9,11-12,14,16-17,19H,2-8,10,13H2,1H3,(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431738
(CHEMBL2346758)Show SMILES Cc1cc(cc(=O)n1C(CC1CCCC1)C(=O)Nc1nccs1)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C22H29N3O4S2/c1-15-12-18(31(28,29)17-8-4-5-9-17)14-20(26)25(15)19(13-16-6-2-3-7-16)21(27)24-22-23-10-11-30-22/h10-12,14,16-17,19H,2-9,13H2,1H3,(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431739
(CHEMBL2346759)Show SMILES Cc1cc(cc(=O)n1C(CC1CC1)C(=O)Nc1nccs1)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C20H25N3O4S2/c1-13-10-16(29(26,27)15-4-2-3-5-15)12-18(24)23(13)17(11-14-6-7-14)19(25)22-20-21-8-9-28-20/h8-10,12,14-15,17H,2-7,11H2,1H3,(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431740
(CHEMBL2346760)Show SMILES CC(C)CC(C(=O)Nc1nccs1)n1c(C)cc(cc1=O)S(=O)(=O)C1CCCC1 Show InChI InChI=1S/C20H27N3O4S2/c1-13(2)10-17(19(25)22-20-21-8-9-28-20)23-14(3)11-16(12-18(23)24)29(26,27)15-6-4-5-7-15/h8-9,11-13,15,17H,4-7,10H2,1-3H3,(H,21,22,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 790 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431741
(CHEMBL2346761)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCCC1)C(=O)Nc1nccs1)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C23H31N3O4S2/c1-16-13-19(32(29,30)18-9-5-6-10-18)15-21(27)26(16)20(14-17-7-3-2-4-8-17)22(28)25-23-24-11-12-31-23/h11-13,15,17-18,20H,2-10,14H2,1H3,(H,24,25,28)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431742
(CHEMBL2346762)Show SMILES CCS(=O)(=O)c1cc(C)n([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)c(=O)c1 |r| Show InChI InChI=1S/C20H27N3O4S2/c1-3-29(26,27)16-11-14(2)23(18(24)13-16)17(12-15-7-5-4-6-8-15)19(25)22-20-21-9-10-28-20/h9-11,13,15,17H,3-8,12H2,1-2H3,(H,21,22,25)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431743
(CHEMBL2346763)Show SMILES Cc1cc(cc(=O)n1[C@@H](CC1CCCCC1)C(=O)Nc1nccs1)S(C)(=O)=O |r| Show InChI InChI=1S/C19H25N3O4S2/c1-13-10-15(28(2,25)26)12-17(23)22(13)16(11-14-6-4-3-5-7-14)18(24)21-19-20-8-9-27-19/h8-10,12,14,16H,3-7,11H2,1-2H3,(H,20,21,24)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431744
(CHEMBL2346764)Show SMILES CC(C)S(=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 |r| Show InChI InChI=1S/C19H30N4O4S2/c1-14(2)29(26,27)22-9-10-23(17(24)13-22)16(12-15-6-4-3-5-7-15)18(25)21-19-20-8-11-28-19/h8,11,14-16H,3-7,9-10,12-13H2,1-2H3,(H,20,21,25)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431745
(CHEMBL2346875)Show SMILES O=C(Nc1nccs1)[C@H](CC1CCCCC1)N1CCN(CC1=O)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C23H30N4O4S2/c28-21-16-26(33(30,31)17-19-9-5-2-6-10-19)12-13-27(21)20(15-18-7-3-1-4-8-18)22(29)25-23-24-11-14-32-23/h2,5-6,9-11,14,18,20H,1,3-4,7-8,12-13,15-17H2,(H,24,25,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431746
(CHEMBL2346877)Show SMILES O=C(Nc1nccs1)[C@H](CC1CCCCC1)N1CCN(CC1=O)S(=O)(=O)c1ccco1 |r| Show InChI InChI=1S/C20H26N4O5S2/c25-17-14-23(31(27,28)18-7-4-11-29-18)9-10-24(17)16(13-15-5-2-1-3-6-15)19(26)22-20-21-8-12-30-20/h4,7-8,11-12,15-16H,1-3,5-6,9-10,13-14H2,(H,21,22,26)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431747
(CHEMBL2346876)Show SMILES Cc1ccc(c(F)c1)S(=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 |r| Show InChI InChI=1S/C23H29FN4O4S2/c1-16-7-8-20(18(24)13-16)34(31,32)27-10-11-28(21(29)15-27)19(14-17-5-3-2-4-6-17)22(30)26-23-25-9-12-33-23/h7-9,12-13,17,19H,2-6,10-11,14-15H2,1H3,(H,25,26,30)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431748
(CHEMBL2346667)Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 |r| Show InChI InChI=1S/C23H30N4O4S2/c1-17-6-5-9-19(14-17)33(30,31)26-11-12-27(21(28)16-26)20(15-18-7-3-2-4-8-18)22(29)25-23-24-10-13-32-23/h5-6,9-10,13-14,18,20H,2-4,7-8,11-12,15-16H2,1H3,(H,24,25,29)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431749
(CHEMBL2346879)Show SMILES Fc1cc(F)cc(c1)S(=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 |r| Show InChI InChI=1S/C22H26F2N4O4S2/c23-16-11-17(24)13-18(12-16)34(31,32)27-7-8-28(20(29)14-27)19(10-15-4-2-1-3-5-15)21(30)26-22-25-6-9-33-22/h6,9,11-13,15,19H,1-5,7-8,10,14H2,(H,25,26,30)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431750
(CHEMBL2346878)Show SMILES Clc1cccc(c1)S(=O)(=O)N1CCN([C@@H](CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 |r| Show InChI InChI=1S/C22H27ClN4O4S2/c23-17-7-4-8-18(14-17)33(30,31)26-10-11-27(20(28)15-26)19(13-16-5-2-1-3-6-16)21(29)25-22-24-9-12-32-22/h4,7-9,12,14,16,19H,1-3,5-6,10-11,13,15H2,(H,24,25,29)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431751
(CHEMBL2346880)Show SMILES CS(=O)(=O)N1CCN([C@@H](CC2CCCCO2)C(=O)Nc2ncc(Cl)s2)C(=O)C1 |r| Show InChI InChI=1S/C16H23ClN4O5S2/c1-28(24,25)20-5-6-21(14(22)10-20)12(8-11-4-2-3-7-26-11)15(23)19-16-18-9-13(17)27-16/h9,11-12H,2-8,10H2,1H3,(H,18,19,23)/t11?,12-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431752
(CHEMBL2346881)Show SMILES Clc1cnc(NC(=O)[C@H](CC2CCCCO2)N2CCN(CC2=O)S(=O)(=O)C2CC2)s1 |r| Show InChI InChI=1S/C18H25ClN4O5S2/c19-15-10-20-18(29-15)21-17(25)14(9-12-3-1-2-8-28-12)23-7-6-22(11-16(23)24)30(26,27)13-4-5-13/h10,12-14H,1-9,11H2,(H,20,21,25)/t12?,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 790 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431753
(CHEMBL2346882)Show SMILES O=C(Nc1nccs1)[C@H](CC1CCCCC1)N1CCN(CC1=O)S(=O)(=O)C1CCCC1 |r| Show InChI InChI=1S/C21H32N4O4S2/c26-19-15-24(31(28,29)17-8-4-5-9-17)11-12-25(19)18(14-16-6-2-1-3-7-16)20(27)23-21-22-10-13-30-21/h10,13,16-18H,1-9,11-12,14-15H2,(H,22,23,27)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431754
(CHEMBL2346883)Show SMILES O=C(Nc1nccs1)C(CC1CCCCC1)N1CCN(CC1=O)S(=O)(=O)C1CC1 Show InChI InChI=1S/C19H28N4O4S2/c24-17-13-22(29(26,27)15-6-7-15)9-10-23(17)16(12-14-4-2-1-3-5-14)18(25)21-19-20-8-11-28-19/h8,11,14-16H,1-7,9-10,12-13H2,(H,20,21,25) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 250 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431755
(CHEMBL2346884)Show SMILES CS(=O)(=O)N1CCN(C(CC2CCCCC2)C(=O)Nc2nccs2)C(=O)C1 Show InChI InChI=1S/C17H26N4O4S2/c1-27(24,25)20-8-9-21(15(22)12-20)14(11-13-5-3-2-4-6-13)16(23)19-17-18-7-10-26-17/h7,10,13-14H,2-6,8-9,11-12H2,1H3,(H,18,19,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431756
(CHEMBL2346885)Show SMILES O=C(Nc1nccs1)[C@H](CC1CCCC1)n1cnc2cc(ccc2c1=O)S(=O)(=O)C1CC1 |r| Show InChI InChI=1S/C22H24N4O4S2/c27-20(25-22-23-9-10-31-22)19(11-14-3-1-2-4-14)26-13-24-18-12-16(7-8-17(18)21(26)28)32(29,30)15-5-6-15/h7-10,12-15,19H,1-6,11H2,(H,23,25,27)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431757
(CHEMBL2346886)Show SMILES CCS(=O)(=O)c1ccc2c(c1)ncn([C@@H](CC1CCCCO1)C(=O)Nc1ncc(F)s1)c2=O |r| Show InChI InChI=1S/C21H23FN4O5S2/c1-2-33(29,30)14-6-7-15-16(10-14)24-12-26(20(15)28)17(9-13-5-3-4-8-31-13)19(27)25-21-23-11-18(22)32-21/h6-7,10-13,17H,2-5,8-9H2,1H3,(H,23,25,27)/t13?,17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431758
(CHEMBL2346887)Show SMILES CCS(=O)(=O)c1ccc2c(c1)ncn([C@@H](CC1CCCCC1)C(=O)Nc1ncc(F)s1)c2=O |r| Show InChI InChI=1S/C22H25FN4O4S2/c1-2-33(30,31)15-8-9-16-17(11-15)25-13-27(21(16)29)18(10-14-6-4-3-5-7-14)20(28)26-22-24-12-19(23)32-22/h8-9,11-14,18H,2-7,10H2,1H3,(H,24,26,28)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 630 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431759
(CHEMBL2346888)Show SMILES Clc1cnc(NC(=O)[C@H](CC2CCCCC2)n2cnc3cc(ccc3c2=O)S(=O)(=O)C2CCCC2)s1 |r| Show InChI InChI=1S/C25H29ClN4O4S2/c26-22-14-27-25(35-22)29-23(31)21(12-16-6-2-1-3-7-16)30-15-28-20-13-18(10-11-19(20)24(30)32)36(33,34)17-8-4-5-9-17/h10-11,13-17,21H,1-9,12H2,(H,27,29,31)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431760
(CHEMBL2346892)Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCCCC2)n2cnc3cc(ccc3c2=O)S(=O)(=O)C2CCCC2)s1 |r| Show InChI InChI=1S/C25H29FN4O4S2/c26-22-14-27-25(35-22)29-23(31)21(12-16-6-2-1-3-7-16)30-15-28-20-13-18(10-11-19(20)24(30)32)36(33,34)17-8-4-5-9-17/h10-11,13-17,21H,1-9,12H2,(H,27,29,31)/t21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 310 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431761
(CHEMBL2346891)Show SMILES CNC(=O)c1ccc2c(c1)ncn([C@@H](CC1CCCCC1)C(=O)Nc1ncc(Cl)s1)c2=O |r| Show InChI InChI=1S/C22H24ClN5O3S/c1-24-19(29)14-7-8-15-16(10-14)26-12-28(21(15)31)17(9-13-5-3-2-4-6-13)20(30)27-22-25-11-18(23)32-22/h7-8,10-13,17H,2-6,9H2,1H3,(H,24,29)(H,25,27,30)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
Hexokinase-4
(Homo sapiens (Human)) | BDBM50431762
(CHEMBL2346890)Show SMILES Cc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1 |r| Show InChI InChI=1S/C21H24N4O2S/c1-14-7-8-17-16(11-14)20(27)25(13-23-17)18(12-15-5-3-2-4-6-15)19(26)24-21-22-9-10-28-21/h7-11,13,15,18H,2-6,12H2,1H3,(H,22,24,26)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Activation of glucokinase (unknown origin) |
Bioorg Med Chem Lett 23: 2166-71 (2013)
Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791 |
More data for this
Ligand-Target Pair | |
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