Found 448 hits with Last Name = 'whitston' and Initial = 'd' 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 |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB MMDB
Reactome pathway 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB MMDB
Reactome pathway 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353788
(CHEMBL1829433)Show SMILES CC(C)C(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C28H33N5O2S/c1-18(2)24(32(16-8-15-29)27(34)22-13-11-19(3)12-14-22)25-30-26-23(20(4)31-36-26)28(35)33(25)17-21-9-6-5-7-10-21/h5-7,9-14,18,24H,8,15-17,29H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353767
(CHEMBL1829430)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)24-29-25-23(19(3)30-35-25)27(34)32(24)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379339
(CHEMBL2011940)Show SMILES Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379357
(CHEMBL2011933)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379363
(CHEMBL2011941)Show SMILES Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H35BrN6O2/c28-22-18-31-26-24(23(22)29-12-5-13-30-27(35)20-6-4-7-20)32-25(33-26)19-8-10-21(11-9-19)36-17-16-34-14-2-1-3-15-34/h8-11,18,20H,1-7,12-17H2,(H,30,35)(H2,29,31,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50379339
(CHEMBL2011940)Show SMILES Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Aurora B kinase |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379364
(CHEMBL2011942)Show SMILES NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379357
(CHEMBL2011933)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
(Homo sapiens (Human)) | BDBM50379339
(CHEMBL2011940)Show SMILES Nc1cccc(c1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C20H23BrN6O/c21-15-11-25-19-17(26-18(27-19)13-6-2-7-14(22)10-13)16(15)23-8-3-9-24-20(28)12-4-1-5-12/h2,6-7,10-12H,1,3-5,8-9,22H2,(H,24,28)(H2,23,25,26,27) | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379356
(CHEMBL2011932)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1 Show InChI InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50389803
(AZD7762 | CHEMBL2041933)Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
(Homo sapiens (Human)) | BDBM50379356
(CHEMBL2011932)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3(CN)CC3)c2[nH]1 Show InChI InChI=1S/C21H25BrN6O2/c1-30-14-5-3-13(4-6-14)18-27-17-16(15(22)11-26-19(17)28-18)24-9-2-10-25-20(29)21(12-23)7-8-21/h3-6,11H,2,7-10,12,23H2,1H3,(H,25,29)(H2,24,26,27,28) | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353820
(CHEMBL1829432)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2c(C)nsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H31N5O2S/c1-4-22(31(16-8-15-28)26(33)21-13-11-18(2)12-14-21)25-29-23-19(3)30-35-24(23)27(34)32(25)17-20-9-6-5-7-10-20/h5-7,9-14,22H,4,8,15-17,28H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379358
(CHEMBL2011934)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-28(22(29)15-5-3-6-15)12-4-11-24-18-17(23)13-25-21-19(18)26-20(27-21)14-7-9-16(30-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,24,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379357
(CHEMBL2011933)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C21H24BrN5O2/c1-29-15-8-6-13(7-9-15)19-26-18-17(16(22)12-25-20(18)27-19)23-10-3-11-24-21(28)14-4-2-5-14/h6-9,12,14H,2-5,10-11H2,1H3,(H,24,28)(H2,23,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255167
(CHEMBL4066751)Show SMILES Cn1cc(cn1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C17H20N6OS/c1-23-9-10(6-21-23)14-5-12-15(25-14)13(16(18)24)8-20-17(12)22-11-3-2-4-19-7-11/h5-6,8-9,11,19H,2-4,7H2,1H3,(H2,18,24)(H,20,22)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50254814
(CHEMBL4059912)Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255178
(CHEMBL4079910)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccsc1 |r| Show InChI InChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50448992
(CHEMBL3125721)Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50243258
((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...)Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50379358
(CHEMBL2011934)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCN(C)C(=O)C3CCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-28(22(29)15-5-3-6-15)12-4-11-24-18-17(23)13-25-21-19(18)26-20(27-21)14-7-9-16(30-2)10-8-14/h7-10,13,15H,3-6,11-12H2,1-2H3,(H2,24,25,26,27) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Aurora B kinase |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379354
(CHEMBL2011930)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)(C)C)c2[nH]1 Show InChI InChI=1S/C21H26BrN5O2/c1-21(2,3)20(28)24-11-5-10-23-16-15(22)12-25-19-17(16)26-18(27-19)13-6-8-14(29-4)9-7-13/h6-9,12H,5,10-11H2,1-4H3,(H,24,28)(H2,23,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD 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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50332136
((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/m0/s1 | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379337
(CHEMBL2011936)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28) | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of TBK1 in HEK293 cells after 4.5 hrs by ISRE-luciferase reporter gene assay in presence of poly I:C |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353799
(CHEMBL1829424)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2sccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)24-29-25-22(14-17-34-25)27(33)31(24)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379359
(CHEMBL2011935)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC(O)C3)c2[nH]1 |(36.6,-30.43,;35.82,-29.1,;34.28,-29.11,;33.52,-30.45,;31.98,-30.46,;31.2,-29.13,;31.96,-27.8,;33.49,-27.78,;29.66,-29.14,;28.76,-30.39,;27.29,-29.92,;25.95,-30.7,;24.62,-29.93,;24.62,-28.39,;23.29,-27.62,;25.95,-27.62,;25.95,-26.08,;27.28,-25.3,;27.27,-23.76,;28.61,-23,;28.61,-21.46,;29.95,-20.69,;31.28,-21.46,;29.95,-19.15,;31.04,-18.07,;29.95,-16.98,;29.96,-15.44,;28.86,-18.06,;27.29,-28.38,;28.75,-27.9,)| Show InChI InChI=1S/C21H24BrN5O3/c1-30-15-5-3-12(4-6-15)19-26-18-17(16(22)11-25-20(18)27-19)23-7-2-8-24-21(29)13-9-14(28)10-13/h3-6,11,13-14,28H,2,7-10H2,1H3,(H,24,29)(H2,23,25,26,27) | PDB
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50448992
(CHEMBL3125721)Show SMILES COc1ccc(cc1)-c1nc2ncc(-c3nc(cs3)C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C26H29N7O3S/c1-36-17-9-7-15(8-10-17)23-32-21-20(28-11-4-12-29-25(35)16-5-2-3-6-16)18(13-30-24(21)33-23)26-31-19(14-37-26)22(27)34/h7-10,13-14,16H,2-6,11-12H2,1H3,(H2,27,34)(H,29,35)(H2,28,30,32,33) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
(Homo sapiens (Human)) | BDBM50379364
(CHEMBL2011942)Show SMILES NC(=O)c1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34) | Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379365
(CHEMBL2011943)Show SMILES COc1ccc(cc1)-c1nc2ncc(C(N)=O)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C23H28N6O3/c1-32-16-9-7-14(8-10-16)21-28-19-18(17(20(24)30)13-27-22(19)29-21)25-11-4-12-26-23(31)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,30)(H,26,31)(H2,25,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255163
(CHEMBL4067770)Show SMILES NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN4O/c21-13-4-1-3-12(9-13)18-10-16-17(24-14-5-2-8-23-11-14)7-6-15(20(22)26)19(16)25-18/h1,3-4,6-7,9-10,14,23-25H,2,5,8,11H2,(H2,22,26)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379337
(CHEMBL2011936)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28) | PDB
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant full-length TBK1 (unknown origin) using CK1tide as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 24: 1138-43 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.123 BindingDB Entry DOI: 10.7270/Q20V8F87 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255210
(CHEMBL4082801)Show SMILES NC(=O)c1cnc(N[C@H]2CNCC[C@@H]2O)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4O2S/c20-18(25)13-9-22-19(23-14-10-21-7-6-15(14)24)12-8-16(26-17(12)13)11-4-2-1-3-5-11/h1-5,8-9,14-15,21,24H,6-7,10H2,(H2,20,25)(H,22,23)/t14-,15-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379337
(CHEMBL2011936)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CCCC3)c2[nH]1 Show InChI InChI=1S/C22H26BrN5O2/c1-30-16-9-7-14(8-10-16)20-27-19-18(17(23)13-26-21(19)28-20)24-11-4-12-25-22(29)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,25,29)(H2,24,26,27,28) | PDB
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase TBK1
(Homo sapiens (Human)) | BDBM50379353
(CHEMBL2011929)Show SMILES COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C(C)C)c2[nH]1 Show InChI InChI=1S/C20H24BrN5O2/c1-12(2)20(27)23-10-4-9-22-16-15(21)11-24-19-17(16)25-18(26-19)13-5-7-14(28-3)8-6-13/h5-8,11-12H,4,9-10H2,1-3H3,(H,23,27)(H2,22,24,25,26) | PDB
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353821
(CHEMBL1829246)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccsc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O2S/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495454
(CHEMBL3108923)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22+,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255208
(CHEMBL4098878)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cccc(F)c1 |r| Show InChI InChI=1S/C19H19FN4OS/c20-12-4-1-3-11(7-12)16-8-14-17(26-16)15(18(21)25)10-23-19(14)24-13-5-2-6-22-9-13/h1,3-4,7-8,10,13,22H,2,5-6,9H2,(H2,21,25)(H,23,24)/t13-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50254805
(CHEMBL4093952)Show SMILES C[C@@H]1CC[C@H](Nc2ncc(C(N)=O)c3sc(cc23)-c2ccccc2)[C@H](C)N1 |r| Show InChI InChI=1S/C21H24N4OS/c1-12-8-9-17(13(2)24-12)25-21-15-10-18(14-6-4-3-5-7-14)27-19(15)16(11-23-21)20(22)26/h3-7,10-13,17,24H,8-9H2,1-2H3,(H2,22,26)(H,23,25)/t12-,13+,17+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50353823
(CHEMBL1829422)Show SMILES CCC(N(CCCN)C(=O)c1ccc(C)cc1)c1nc2ccoc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C27H30N4O3/c1-3-23(30(16-7-15-28)26(32)21-12-10-19(2)11-13-21)25-29-22-14-17-34-24(22)27(33)31(25)18-20-8-5-4-6-9-20/h4-6,8-14,17,23H,3,7,15-16,18,28H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His6-tagged KSP ATPase activity after 1 hr by malachite green assay |
J Med Chem 54: 6734-50 (2011)
Article DOI: 10.1021/jm200629m BindingDB Entry DOI: 10.7270/Q2ZC838Z |
More data for this Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50379363
(CHEMBL2011941)Show SMILES Brc1cnc2nc([nH]c2c1NCCCNC(=O)C1CCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C27H35BrN6O2/c28-22-18-31-26-24(23(22)29-12-5-13-30-27(35)20-6-4-7-20)32-25(33-26)19-8-10-21(11-9-19)36-17-16-34-14-2-1-3-15-34/h8-11,18,20H,1-7,12-17H2,(H,30,35)(H2,29,31,32,33) | PDB
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 |
AstraZeneca R&D Boston
Curated by ChEMBL
| Assay Description Inhibition of Aurora B kinase |
Bioorg Med Chem Lett 22: 2063-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74 |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495447
(CHEMBL3108925)Show SMILES CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H](CCc2ccccc12)OCC#C)C(C)(C)C |r| Show InChI InChI=1S/C28H40N4O4/c1-7-17-36-22-15-14-19-11-8-9-12-20(19)23(22)30-26(34)21-13-10-16-32(21)27(35)24(28(3,4)5)31-25(33)18(2)29-6/h1,8-9,11-12,18,21-24,29H,10,13-17H2,2-6H3,(H,30,34)(H,31,33)/t18-,21-,22-,23-,24+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255165
(CHEMBL4071952)Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H24N6OS/c24-22(30)19-12-26-23(28-17-7-4-8-25-11-17)18-9-20(31-21(18)19)16-10-27-29(14-16)13-15-5-2-1-3-6-15/h1-3,5-6,9-10,12,14,17,25H,4,7-8,11,13H2,(H2,24,30)(H,26,28)/t17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| 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 |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50255162
(CHEMBL4105353)Show SMILES NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H21ClN4O/c21-13-5-3-12(4-6-13)18-10-16-17(24-14-2-1-9-23-11-14)8-7-15(20(22)26)19(16)25-18/h3-8,10,14,23-25H,1-2,9,11H2,(H2,22,26)/t14-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States.
Curated by ChEMBL
| Assay Description Inhibition of CHK1 (unknown origin) |
J Med Chem 61: 1061-1073 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5 |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of AbuRPFK-5FAM from GST-tagged cIAP1 BIR3 domain (L250 to G350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this Ligand-Target Pair | |
E3 ubiquitin-protein ligase XIAP
(Homo sapiens (Human)) | BDBM50495451
(CHEMBL3108827)Show SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C1CCCCC1 |r| Show InChI InChI=1S/C58H78N8O8/c1-37(59-3)53(67)61-49(39-21-9-7-10-22-39)57(71)65-31-19-29-45(65)55(69)63-51-43-27-15-13-25-41(43)35-47(51)73-33-17-5-6-18-34-74-48-36-42-26-14-16-28-44(42)52(48)64-56(70)46-30-20-32-66(46)58(72)50(40-23-11-8-12-24-40)62-54(68)38(2)60-4/h13-16,25-28,37-40,45-52,59-60H,7-12,19-24,29-36H2,1-4H3,(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t37-,38-,45-,46-,47+,48+,49-,50-,51-,52-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of AbuRPFK-5FAM from GST-tagged XIAP BIR3 domain (N252 to E350) (unknown origin) after 20 mins by fluorescence polarization assay |
J Med Chem 56: 9897-919 (2013)
Article DOI: 10.1021/jm401075x BindingDB Entry DOI: 10.7270/Q23T9M6C |
More data for this Ligand-Target Pair | |