Found 275 hits with Last Name = 'yang' 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 |
|---|
Translocator protein
(Homo sapiens (Human)) | BDBM50159089
(CHEMBL180523 | N,N-Dibutyl-2-[6,8-dichloro-2-(4-ch...)Show SMILES CCCCN(CCCC)C(=O)Cc1c(nc2c(Cl)cc(Cl)cn12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H26Cl3N3O/c1-3-5-11-28(12-6-4-2)21(30)14-20-22(16-7-9-17(24)10-8-16)27-23-19(26)13-18(25)15-29(20)23/h7-10,13,15H,3-6,11-12,14H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM50045877
(2-(2-(4-fluorophenyl)-1H-indol-3-yl)-N,N-dihexylac...)Show SMILES CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)-c1ccc(F)cc1 Show InChI InChI=1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Translocator protein
(Rattus norvegicus (rat)) | BDBM50210940
(CHEMBL3948914)Show SMILES CC(C)c1ccc(C)c(NC(=O)Cn2c(Cc3c(Cl)cccc3Cl)nc3ccccc23)c1 Show InChI InChI=1S/C26H25Cl2N3O/c1-16(2)18-12-11-17(3)23(13-18)30-26(32)15-31-24-10-5-4-9-22(24)29-25(31)14-19-20(27)7-6-8-21(19)28/h4-13,16H,14-15H2,1-3H3,(H,30,32) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | |
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)) | 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)) | 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)) | 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 | |
Translocator protein
(Homo sapiens (Human)) | BDBM50185957
(CHEMBL205767 | N-(2-isopropoxybenzyl)-N-(4-chloro-...)Show SMILES CC(C)Oc1ccccc1CN(C(C)=O)c1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C24H24ClNO3/c1-17(2)28-23-12-8-7-9-19(23)16-26(18(3)27)22-14-13-20(25)15-24(22)29-21-10-5-4-6-11-21/h4-15,17H,16H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
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 | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Homo sapiens (Human)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | |
Translocator protein
(Rattus norvegicus (rat)) | BDBM22032
(1-(2-chlorophenyl)-N-methyl-N-(1-methylpropyl)isoq...)Show InChI InChI=1S/C21H21ClN2O/c1-4-14(2)24(3)21(25)19-13-15-9-5-6-10-16(15)20(23-19)17-11-7-8-12-18(17)22/h5-14H,4H2,1-3H3 | PDB
KEGG
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| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Displacement of [3H]PK11195 from TSPO in Sprague-Dawley rat cerebral cortex membranes after 60 mins by microbeta liquid scintillation counting method |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Translocator protein
(Homo sapiens (Human)) | BDBM50210943
(CHEMBL3970955)Show SMILES COc1ccc(OC)c(CN(C(C)=O)c2ccc(F)cc2Oc2ccccc2)c1 Show InChI InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-11-9-18(24)14-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Korea Institute of Science and Technology
Curated by ChEMBL
| Assay Description
Inhibition of TSPO (unknown origin) |
Eur J Med Chem 125: 1172-1192 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.017
BindingDB Entry DOI: 10.7270/Q25Q4Z83 |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50465100
(CHEMBL4282154)Show SMILES COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C29H29ClN6O3S/c1-39-28-25(40-29(36-28)17-10-11-31-23(14-17)35-26(37)16-6-7-16)27(38)33-13-12-32-24-19-4-2-3-5-21(19)34-22-15-18(30)8-9-20(22)24/h8-11,14-16H,2-7,12-13H2,1H3,(H,32,34)(H,33,38)(H,31,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by El... |
ACS Med Chem Lett 9: 171-176 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00463
BindingDB Entry DOI: 10.7270/Q2MG7S5F |
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 | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50465096
(CHEMBL4293418)Show SMILES COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2cc(Cl)ccc12)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C30H31ClN6O3S/c1-40-29-26(41-30(37-29)18-11-14-32-24(15-18)36-27(38)17-7-8-17)28(39)34-13-4-12-33-25-20-5-2-3-6-22(20)35-23-16-19(31)9-10-21(23)25/h9-11,14-17H,2-8,12-13H2,1H3,(H,33,35)(H,34,39)(H,32,36,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by El... |
ACS Med Chem Lett 9: 171-176 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00463
BindingDB Entry DOI: 10.7270/Q2MG7S5F |
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 | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50465093
(CHEMBL4286601)Show SMILES COc1nc(sc1C(=O)NCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C29H30N6O3S/c1-38-28-25(39-29(35-28)18-12-13-30-23(16-18)34-26(36)17-10-11-17)27(37)32-15-14-31-24-19-6-2-4-8-21(19)33-22-9-5-3-7-20(22)24/h2,4,6,8,12-13,16-17H,3,5,7,9-11,14-15H2,1H3,(H,31,33)(H,32,37)(H,30,34,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by El... |
ACS Med Chem Lett 9: 171-176 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00463
BindingDB Entry DOI: 10.7270/Q2MG7S5F |
More data for this
Ligand-Target Pair | |
Acetylcholinesterase
(Homo sapiens (Human)) | BDBM50465101
(CHEMBL4278686)Show SMILES COc1nc(sc1C(=O)NCCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C30H32N6O3S/c1-39-29-26(40-30(36-29)19-13-16-31-24(17-19)35-27(37)18-11-12-18)28(38)33-15-6-14-32-25-20-7-2-4-9-22(20)34-23-10-5-3-8-21(23)25/h2,4,7,9,13,16-18H,3,5-6,8,10-12,14-15H2,1H3,(H,32,34)(H,33,38)(H,31,35,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of human AChE using acetylthiocholine iodide as substrate incubated for 20 mins followed by substrate addition measured after 2 mins by El... |
ACS Med Chem Lett 9: 171-176 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00463
BindingDB Entry DOI: 10.7270/Q2MG7S5F |
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) |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
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 | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170218
(CHEMBL3804952)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
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 | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170217
(CHEMBL3805114)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
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 | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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 |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170215
(CHEMBL3806261)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
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 | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170171
(CHEMBL3805029)Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
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 | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170216
(CHEMBL3805956)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
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 | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM50465097
(CHEMBL4290039)Show SMILES COc1nc(sc1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccnc(NC(=O)C2CC2)c1 Show InChI InChI=1S/C33H38N6O3S/c1-42-32-29(43-33(39-32)22-16-19-34-27(20-22)38-30(40)21-14-15-21)31(41)36-18-9-3-2-8-17-35-28-23-10-4-6-12-25(23)37-26-13-7-5-11-24(26)28/h4,6,10,12,16,19-21H,2-3,5,7-9,11,13-15,17-18H2,1H3,(H,35,37)(H,36,41)(H,34,38,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full length N-terminal GST-tagged GSK-3beta expressed in Sf9 insect cells using prephosphorylated polypeptide as subs... |
ACS Med Chem Lett 9: 171-176 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00463
BindingDB Entry DOI: 10.7270/Q2MG7S5F |
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 | |
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