Found 93 hits with Last Name = 'hsu' and Initial = 'hy' 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 |
|---|
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325294
(5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN4CCCC4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H29N3O4Se/c1-17-22(27(33)29-9-12-31-10-3-4-11-31)15-20(36-17)16-23-21-7-5-18(13-24(21)30-28(23)34)19-6-8-25(32)26(14-19)35-2/h5-8,13-16,32H,3-4,9-12H2,1-2H3,(H,29,33)(H,30,34)/b23-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325307
(CHEMBL1223408 | N-(2-(diethylamino)ethyl)-5-((6-(4...)Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]c1C Show InChI InChI=1S/C27H29N3O3Se/c1-4-30(5-2)13-12-28-26(32)23-15-21(34-17(23)3)16-24-22-11-8-19(14-25(22)29-27(24)33)18-6-9-20(31)10-7-18/h6-11,14-16,31H,4-5,12-13H2,1-3H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325308
(5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H27N3O3Se/c1-17-23(26(32)28-10-13-30-11-2-3-12-30)15-21(34-17)16-24-22-9-6-19(14-25(22)29-27(24)33)18-4-7-20(31)8-5-18/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325296
(CHEMBL1223263 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCCn4ccnc4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H26N4O4Se/c1-17-22(27(34)30-8-3-10-32-11-9-29-16-32)14-20(37-17)15-23-21-6-4-18(12-24(21)31-28(23)35)19-5-7-25(33)26(13-19)36-2/h4-7,9,11-16,33H,3,8,10H2,1-2H3,(H,30,34)(H,31,35)/b23-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325292
(CHEMBL1223182 | N-(2-(dimethylamino)ethyl)-5-((6-(...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN(C)C)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C26H27N3O4Se/c1-15-20(25(31)27-9-10-29(2)3)13-18(34-15)14-21-19-7-5-16(11-22(19)28-26(21)32)17-6-8-23(30)24(12-17)33-4/h5-8,11-14,30H,9-10H2,1-4H3,(H,27,31)(H,28,32)/b21-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325310
(CHEMBL1223478 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C27H24N4O3Se/c1-17-23(26(33)29-9-2-11-31-12-10-28-16-31)14-21(35-17)15-24-22-8-5-19(13-25(22)30-27(24)34)18-3-6-20(32)7-4-18/h3-8,10,12-16,32H,2,9,11H2,1H3,(H,29,33)(H,30,34)/b24-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325306
(CHEMBL1223407 | N-(2-(dimethylamino)ethyl)-5-((6-(...)Show SMILES CN(C)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]c1C Show InChI InChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-10-11-28(2)3)13-19(32-15)14-22-20-9-6-17(12-23(20)27-25(22)31)16-4-7-18(29)8-5-16/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,30)(H,27,31)/b22-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325293
(CHEMBL1223183 | N-(2-(diethylamino)ethyl)-5-((6-(4...)Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)[se]c1C Show InChI InChI=1S/C28H31N3O4Se/c1-5-31(6-2)12-11-29-27(33)22-15-20(36-17(22)3)16-23-21-9-7-18(13-24(21)30-28(23)34)19-8-10-25(32)26(14-19)35-4/h7-10,13-16,32H,5-6,11-12H2,1-4H3,(H,29,33)(H,30,34)/b23-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325309
(5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-23(26(32)28-10-12-30-11-2-3-13-34-30)15-21(35-17)16-24-22-9-6-19(14-25(22)29-27(24)33)18-4-7-20(31)8-5-18/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325295
(5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(=O)NCCN4CCOCC4)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C28H29N3O5Se/c1-17-22(27(33)29-7-8-31-9-11-36-12-10-31)15-20(37-17)16-23-21-5-3-18(13-24(21)30-28(23)34)19-4-6-25(32)26(14-19)35-2/h3-6,13-16,32H,7-12H2,1-2H3,(H,29,33)(H,30,34)/b23-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325287
(CHEMBL1223044 | N-(2-(dimethylamino)ethyl)-5-((6-(...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN(C)C)C(=O)Nc2c1 Show InChI InChI=1S/C25H25N3O4Se/c1-28(2)11-10-26-25(31)23-9-6-17(33-23)14-19-18-7-4-15(12-20(18)27-24(19)30)16-5-8-21(29)22(13-16)32-3/h4-9,12-14,29H,10-11H2,1-3H3,(H,26,31)(H,27,30)/b19-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325291
(CHEMBL1223118 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCCn3ccnc3)C(=O)Nc2c1 Show InChI InChI=1S/C27H24N4O4Se/c1-35-24-14-18(4-7-23(24)32)17-3-6-20-21(26(33)30-22(20)13-17)15-19-5-8-25(36-19)27(34)29-9-2-11-31-12-10-28-16-31/h3-8,10,12-16,32H,2,9,11H2,1H3,(H,29,34)(H,30,33)/b21-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325304
(5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCCO3)C(=O)Nc2c1 Show InChI InChI=1S/C26H25N3O4Se/c30-19-6-3-17(4-7-19)18-5-9-21-22(25(31)28-23(21)15-18)16-20-8-10-24(34-20)26(32)27-11-13-29-12-1-2-14-33-29/h3-10,15-16,30H,1-2,11-14H2,(H,27,32)(H,28,31)/b22-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325289
(5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCC3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O4Se/c1-34-24-15-18(5-8-23(24)31)17-4-7-20-21(26(32)29-22(20)14-17)16-19-6-9-25(35-19)27(33)28-10-13-30-11-2-3-12-30/h4-9,14-16,31H,2-3,10-13H2,1H3,(H,28,33)(H,29,32)/b21-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325302
(CHEMBL1223338 | N-(2-(diethylamino)ethyl)-5-((6-(4...)Show SMILES CCN(CC)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C26H27N3O3Se/c1-3-29(4-2)14-13-27-26(32)24-12-10-20(33-24)16-22-21-11-7-18(15-23(21)28-25(22)31)17-5-8-19(30)9-6-17/h5-12,15-16,30H,3-4,13-14H2,1-2H3,(H,27,32)(H,28,31)/b22-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325303
(5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCCC3)C(=O)Nc2c1 Show InChI InChI=1S/C26H25N3O3Se/c30-19-6-3-17(4-7-19)18-5-9-21-22(25(31)28-23(21)15-18)16-20-8-10-24(33-20)26(32)27-11-14-29-12-1-2-13-29/h3-10,15-16,30H,1-2,11-14H2,(H,27,32)(H,28,31)/b22-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM14649
((3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-pyrrol-2-...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1 Show InChI InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325301
(CHEMBL1223337 | N-(2-(dimethylamino)ethyl)-5-((6-(...)Show SMILES CN(C)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C24H23N3O3Se/c1-27(2)12-11-25-24(30)22-10-8-18(31-22)14-20-19-9-5-16(13-21(19)26-23(20)29)15-3-6-17(28)7-4-15/h3-10,13-14,28H,11-12H2,1-2H3,(H,25,30)(H,26,29)/b20-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325305
(CHEMBL1223406 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...)Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCCn3ccnc3)C(=O)Nc2c1 Show InChI InChI=1S/C26H22N4O3Se/c31-19-5-2-17(3-6-19)18-4-8-21-22(25(32)29-23(21)14-18)15-20-7-9-24(34-20)26(33)28-10-1-12-30-13-11-27-16-30/h2-9,11,13-16,31H,1,10,12H2,(H,28,33)(H,29,32)/b22-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325290
(5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-y...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(=O)NCCN3CCOCC3)C(=O)Nc2c1 Show InChI InChI=1S/C27H27N3O5Se/c1-34-24-15-18(3-6-23(24)31)17-2-5-20-21(26(32)29-22(20)14-17)16-19-4-7-25(36-19)27(33)28-8-9-30-10-12-35-13-11-30/h2-7,14-16,31H,8-13H2,1H3,(H,28,33)(H,29,32)/b21-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325288
(CHEMBL1223115 | N-(2-(diethylamino)ethyl)-5-((6-(4...)Show SMILES CCN(CC)CCNC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)c(OC)c2)[se]1 Show InChI InChI=1S/C27H29N3O4Se/c1-4-30(5-2)13-12-28-27(33)25-11-8-19(35-25)16-21-20-9-6-17(14-22(20)29-26(21)32)18-7-10-23(31)24(15-18)34-3/h6-11,14-16,31H,4-5,12-13H2,1-3H3,(H,28,33)(H,29,32)/b21-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325286
((Z)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3cc(C(O)=O)c(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C22H17NO5Se/c1-11-16(22(26)27)9-14(29-11)10-17-15-5-3-12(7-18(15)23-21(17)25)13-4-6-19(24)20(8-13)28-2/h3-10,24H,1-2H3,(H,23,25)(H,26,27)/b17-10- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325284
((Z)-6-(4-hydroxy-3-methoxyphenyl)-3-((5-methylsele...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc(C)[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C21H17NO3Se/c1-12-3-6-15(26-12)11-17-16-7-4-13(9-18(16)22-21(17)24)14-5-8-19(23)20(10-14)25-2/h3-11,23H,1-2H3,(H,22,24)/b17-11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325297
((Z)-6-(4-hydroxyphenyl)-3-(selenophen-2-ylmethylen...)Show SMILES Oc1ccc(cc1)-c1ccc2\C(=C\c3ccc[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C19H13NO2Se/c21-14-6-3-12(4-7-14)13-5-8-16-17(11-15-2-1-9-23-15)19(22)20-18(16)10-13/h1-11,21H,(H,20,22)/b17-11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325300
((Z)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)cc1C(O)=O Show InChI InChI=1S/C21H15NO4Se/c1-11-17(21(25)26)9-15(27-11)10-18-16-7-4-13(8-19(16)22-20(18)24)12-2-5-14(23)6-3-12/h2-10,23H,1H3,(H,22,24)(H,25,26)/b18-10- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325298
((Z)-6-(4-hydroxyphenyl)-3-((5-methylselenophen-2-y...)Show SMILES Cc1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C20H15NO2Se/c1-12-2-8-16(24-12)11-18-17-9-5-14(10-19(17)21-20(18)23)13-3-6-15(22)7-4-13/h2-11,22H,1H3,(H,21,23)/b18-11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325283
((Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(selenophen-2-...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc[se]3)C(=O)Nc2c1 Show InChI InChI=1S/C20H15NO3Se/c1-24-19-10-13(5-7-18(19)22)12-4-6-15-16(11-14-3-2-8-25-14)20(23)21-17(15)9-12/h2-11,22H,1H3,(H,21,23)/b16-11- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325312
(CHEMBL1223480 | N-(2-(dimethylamino)ethyl)-5-((6-(...)Show SMILES CN(C)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)[se]c1C Show InChI InChI=1S/C25H25N3O3Se/c1-15-21(24(30)26-9-10-28(2)3)13-19(32-15)14-22-20-8-7-17(12-23(20)27-25(22)31)16-5-4-6-18(29)11-16/h4-8,11-14,29H,9-10H2,1-3H3,(H,26,30)(H,27,31)/b22-14- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238197
(CHEMBL4082885)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238209
(CHEMBL4072390)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C28H23N3O4S2/c1-4-17-12-19(5-6-20(17)13-23-25(32)29-27(34)36-23)18-7-9-22(10-8-18)31-15(2)11-21(16(31)3)14-24-26(33)30-28(35)37-24/h5-14H,4H2,1-3H3,(H,29,32,34)(H,30,33,35)/b23-13-,24-14- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238195
(CHEMBL4090687)Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2ccccc2)n(c1-c1ccccc1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C36H23N3O4S2/c40-33-30(44-35(42)37-33)19-22-11-13-23(14-12-22)24-15-17-28(18-16-24)39-29(25-7-3-1-4-8-25)20-27(21-31-34(41)38-36(43)45-31)32(39)26-9-5-2-6-10-26/h1-21H,(H,37,40,42)(H,38,41,43)/b30-19-,31-21- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238198
(CHEMBL4061000)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C37H25N3O5S2/c1-45-30-21-27(16-17-28(30)23-14-12-22(13-15-23)18-31-34(41)38-36(43)46-31)40-29(24-8-4-2-5-9-24)19-26(20-32-35(42)39-37(44)47-32)33(40)25-10-6-3-7-11-25/h2-21H,1H3,(H,38,41,43)(H,39,42,44)/b31-18-,32-20- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238194
(CHEMBL4080388)Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2cccs2)n(c1-c1cccs1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C32H19N3O4S4/c36-29-26(42-31(38)33-29)15-18-5-7-19(8-6-18)20-9-11-22(12-10-20)35-23(24-3-1-13-40-24)16-21(28(35)25-4-2-14-41-25)17-27-30(37)34-32(39)43-27/h1-17H,(H,33,36,38)(H,34,37,39)/b26-15-,27-17- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238194
(CHEMBL4080388)Show SMILES O=C1NC(=O)\C(S1)=C\c1cc(-c2cccs2)n(c1-c1cccs1)-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)cc1 Show InChI InChI=1S/C32H19N3O4S4/c36-29-26(42-31(38)33-29)15-18-5-7-19(8-6-18)20-9-11-22(12-10-20)35-23(24-3-1-13-40-24)16-21(28(35)25-4-2-14-41-25)17-27-30(37)34-32(39)43-27/h1-17H,(H,33,36,38)(H,34,37,39)/b26-15-,27-17- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238197
(CHEMBL4082885)Show SMILES COc1cc(ccc1-c1ccc(\C=C2/SC(=O)NC2=O)cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C33H21N3O5S4/c1-41-24-17-21(10-11-22(24)19-8-6-18(7-9-19)14-27-30(37)34-32(39)44-27)36-23(25-4-2-12-42-25)15-20(29(36)26-5-3-13-43-26)16-28-31(38)35-33(40)45-28/h2-17H,1H3,(H,34,37,39)(H,35,38,40)/b27-14-,28-16- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of binding of [3H]naloxone to Opioid receptor mu 1 in the rat brain homogenate |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238199
(CHEMBL4099331)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1cccs1)-c1cccs1 Show InChI InChI=1S/C34H23N3O4S4/c1-2-19-15-21(7-8-22(19)17-28-31(38)35-33(40)44-28)20-9-11-24(12-10-20)37-25(26-5-3-13-42-26)16-23(30(37)27-6-4-14-43-27)18-29-32(39)36-34(41)45-29/h3-18H,2H2,1H3,(H,35,38,40)(H,36,39,41)/b28-17-,29-18- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238200
(CHEMBL4087349)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(cc(\C=C2/SC(=O)NC2=O)c1-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C38H27N3O4S2/c1-2-23-19-27(13-14-28(23)21-32-35(42)39-37(44)46-32)24-15-17-30(18-16-24)41-31(25-9-5-3-6-10-25)20-29(22-33-36(43)40-38(45)47-33)34(41)26-11-7-4-8-12-26/h3-22H,2H2,1H3,(H,39,42,44)(H,40,43,45)/b32-21-,33-22- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238203
(CHEMBL4074218)Show SMILES Cc1cc(\C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(cc1)-c1ccc(\C=C2/SC(=O)NC2=O)c(Cl)c1 Show InChI InChI=1S/C26H18ClN3O4S2/c1-13-9-18(12-22-24(32)29-26(34)36-22)14(2)30(13)19-7-5-15(6-8-19)16-3-4-17(20(27)10-16)11-21-23(31)28-25(33)35-21/h3-12H,1-2H3,(H,28,31,33)(H,29,32,34)/b21-11-,22-12- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238210
(CHEMBL4065595)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1C#N)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C29H22N4O4S2/c1-4-17-10-19(6-5-18(17)12-24-26(34)31-28(36)38-24)23-8-7-22(11-21(23)14-30)33-15(2)9-20(16(33)3)13-25-27(35)32-29(37)39-25/h5-13H,4H2,1-3H3,(H,31,34,36)(H,32,35,37)/b24-12-,25-13- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325276
(CHEMBL1223552 | N-(3-(1H-imidazol-1-yl)propyl)-5-(...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCCn1ccnc1 Show InChI InChI=1S/C27H24N4O3Se/c1-17-23(26(33)29-8-3-10-31-11-9-28-16-31)14-21(35-17)15-24-22-7-6-19(13-25(22)30-27(24)34)18-4-2-5-20(32)12-18/h2,4-7,9,11-16,32H,3,8,10H2,1H3,(H,29,33)(H,30,34)/b24-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238201
(CHEMBL4065936)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1OC)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C29H25N3O5S2/c1-5-17-11-19(7-6-18(17)12-24-26(33)30-28(35)38-24)22-9-8-21(14-23(22)37-4)32-15(2)10-20(16(32)3)13-25-27(34)31-29(36)39-25/h6-14H,5H2,1-4H3,(H,30,33,35)(H,31,34,36)/b24-12-,25-13- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325285
((Z)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin...)Show SMILES COc1cc(ccc1O)-c1ccc2\C(=C\c3ccc([se]3)C(O)=O)C(=O)Nc2c1 Show InChI InChI=1S/C21H15NO5Se/c1-27-18-9-12(3-6-17(18)23)11-2-5-14-15(20(24)22-16(14)8-11)10-13-4-7-19(28-13)21(25)26/h2-10,23H,1H3,(H,22,24)(H,25,26)/b15-10- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325314
(5-((6-(3-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H27N3O3Se/c1-17-23(26(32)28-9-12-30-10-2-3-11-30)15-21(34-17)16-24-22-8-7-19(14-25(22)29-27(24)33)18-5-4-6-20(31)13-18/h4-8,13-16,31H,2-3,9-12H2,1H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325313
(CHEMBL1223549 | N-(2-(diethylamino)ethyl)-5-((6-(3...)Show SMILES CCN(CC)CCNC(=O)c1cc(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)[se]c1C Show InChI InChI=1S/C27H29N3O3Se/c1-4-30(5-2)12-11-28-26(32)23-15-21(34-17(23)3)16-24-22-10-9-19(14-25(22)29-27(24)33)18-7-6-8-20(31)13-18/h6-10,13-16,31H,4-5,11-12H2,1-3H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50400050
(CHEMBL2177757 | US10793535, Cmpd ID 1 | US11191732...)Show SMILES O=C(Cc1ccccc1)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 Show InChI InChI=1S/C24H24N6O2S3/c31-19(15-17-7-3-1-4-8-17)25-23-29-27-21(34-23)11-13-33-14-12-22-28-30-24(35-22)26-20(32)16-18-9-5-2-6-10-18/h1-10H,11-16H2,(H,25,29,31)(H,26,30,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His-tagged KGA (L123 to L669 residues) expressed in Escherichia coli BL21(DE3)pLysS using glutamine substrate preincu... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238209
(CHEMBL4072390)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C28H23N3O4S2/c1-4-17-12-19(5-6-20(17)13-23-25(32)29-27(34)36-23)18-7-9-22(10-8-18)31-15(2)11-21(16(31)3)14-24-26(33)30-28(35)37-24/h5-14H,4H2,1-3H3,(H,29,32,34)(H,30,33,35)/b23-13-,24-14- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MCF7 cells derived His-tagged GAC (L123 to S598 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Glutaminase kidney isoform, mitochondrial
(Homo sapiens (Human)) | BDBM50238210
(CHEMBL4065595)Show SMILES CCc1cc(ccc1\C=C1/SC(=O)NC1=O)-c1ccc(cc1C#N)-n1c(C)cc(\C=C2/SC(=O)NC2=O)c1C Show InChI InChI=1S/C29H22N4O4S2/c1-4-17-10-19(6-5-18(17)12-24-26(34)31-28(36)38-24)23-8-7-22(11-21(23)14-30)33-15(2)9-20(16(33)3)13-25-27(35)32-29(37)39-25/h5-13H,4H2,1-3H3,(H,31,34,36)(H,32,35,37)/b24-12-,25-13- | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human MCF7 cells derived His-tagged GAC (L123 to S598 residues) expressed in Escherichia coli C41(DE3)pLysS using glutamine... |
J Med Chem 60: 5599-5612 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00282
BindingDB Entry DOI: 10.7270/Q26H4KP5 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325299
((Z)-5-((6-(4-hydroxyphenyl)-2-oxoindolin-3-ylidene...)Show SMILES OC(=O)c1ccc(\C=C2/C(=O)Nc3cc(ccc23)-c2ccc(O)cc2)[se]1 Show InChI InChI=1S/C20H13NO4Se/c22-13-4-1-11(2-5-13)12-3-7-15-16(19(23)21-17(15)9-12)10-14-6-8-18(26-14)20(24)25/h1-10,22H,(H,21,23)(H,24,25)/b16-10- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325281
(5-((6-(2-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2ccccc2O)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-22(26(32)28-10-12-30-11-4-5-13-34-30)15-19(35-17)16-23-21-9-8-18(14-24(21)29-27(23)33)20-6-2-3-7-25(20)31/h2-3,6-9,14-16,31H,4-5,10-13H2,1H3,(H,28,32)(H,29,33)/b23-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50325275
(5-((6-(3-hydroxyphenyl)-2-oxoindolin-3-ylidene)met...)Show SMILES Cc1[se]c(\C=C2/C(=O)Nc3cc(ccc23)-c2cccc(O)c2)cc1C(=O)NCCN1CCCCO1 Show InChI InChI=1S/C27H27N3O4Se/c1-17-23(26(32)28-9-11-30-10-2-3-12-34-30)15-21(35-17)16-24-22-8-7-19(14-25(22)29-27(24)33)18-5-4-6-20(31)13-18/h4-8,13-16,31H,2-3,9-12H2,1H3,(H,28,32)(H,29,33)/b24-16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Development Center for Biotechnology
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant GST-Chk1after 30 mins |
Bioorg Med Chem Lett 20: 5065-8 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.034
BindingDB Entry DOI: 10.7270/Q2NZ87TV |
More data for this
Ligand-Target Pair | |
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