Found 57 hits Enz. Inhib. hit(s) with all data for entry = 50038276 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)) | BDBM50232242
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374070
(CHEMBL271084)Show SMILES Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,9-10,14-16,34H,4-8,11-13H2,1H3,(H,31,35,36) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374063
(CHEMBL270866)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1 Show InChI InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | 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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232241
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50232232
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374068
(CHEMBL271071)Show SMILES Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34) | 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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374067
(CHEMBL255427)Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374069
(CHEMBL255565)Show SMILES OCCn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H30ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,8-9,15-17,35-36H,3-7,10-14H2,(H,32,37,38) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232227
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374060
(CHEMBL272267)Show SMILES Cn1c2cc(C(=O)NCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374066
(CHEMBL401776)Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232235
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374064
(CHEMBL404335)Show SMILES Cn1c2cc(SCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232235
(4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...)Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374071
(CHEMBL272946)Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374065
(CHEMBL270021)Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232232
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374069
(CHEMBL255565)Show SMILES OCCn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H30ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,8-9,15-17,35-36H,3-7,10-14H2,(H,32,37,38) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232242
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232233
(4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropox...)Show SMILES Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50374065
(CHEMBL270021)Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50374067
(CHEMBL255427)Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232237
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(4-morphol...)Show SMILES Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O4/c1-32-22-14-17(6-4-5-9-33-10-12-37-13-11-33)24(34)16-20(22)25-23(32)15-19(18-7-2-3-8-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,7-8,14-16,34H,4-6,9-13H2,1H3,(H,31,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374063
(CHEMBL270866)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCN1CCCC1 Show InChI InChI=1S/C28H26ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232238
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)Show SMILES CN(C)CCCCc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O3/c1-30(2)11-7-6-8-15-12-20-18(14-22(15)32)23-21(31(20)3)13-17(16-9-4-5-10-19(16)28)24-25(23)27(34)29-26(24)33/h4-5,9-10,12-14,32H,6-8,11H2,1-3H3,(H,29,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374068
(CHEMBL271071)Show SMILES Oc1cc2c(cc1OCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C27H24ClN3O4/c28-18-7-2-1-6-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)35-11-5-10-31-8-3-4-9-31/h1-2,6-7,12-14,29,32H,3-5,8-11H2,(H,30,33,34) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374070
(CHEMBL271084)Show SMILES Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O3/c1-32-22-14-17(8-4-5-11-33-12-6-7-13-33)24(34)16-20(22)25-23(32)15-19(18-9-2-3-10-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,9-10,14-16,34H,4-8,11-13H2,1H3,(H,31,35,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232239
(4-(2-chlorophenyl)-9-hydroxy-8-(4-morpholinobutyl)...)Show SMILES Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232233
(4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropox...)Show SMILES Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34) | 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 | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374064
(CHEMBL404335)Show SMILES Cn1c2cc(SCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374061
(CHEMBL402093)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50192349
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232240
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)Show SMILES CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374071
(CHEMBL272946)Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232240
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)Show SMILES CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C26H24ClN3O3/c1-30(2)10-6-5-7-14-11-19-17(13-21(14)31)22-20(28-19)12-16(15-8-3-4-9-18(15)27)23-24(22)26(33)29-25(23)32/h3-4,8-9,11-13,28,31H,5-7,10H2,1-2H3,(H,29,32,33) | 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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374061
(CHEMBL402093)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)NCCN1CCCC1 Show InChI InChI=1S/C27H25ClN4O5S/c1-31-19-14-22(38(36,37)29-8-11-32-9-4-5-10-32)21(33)13-17(19)23-20(31)12-16(15-6-2-3-7-18(15)28)24-25(23)27(35)30-26(24)34/h2-3,6-7,12-14,29,33H,4-5,8-11H2,1H3,(H,30,34,35) | 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 | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232230
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(3-morphol...)Show SMILES Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O5/c1-31-20-15-23(37-10-4-7-32-8-11-36-12-9-32)22(33)14-18(20)24-21(31)13-17(16-5-2-3-6-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,5-6,13-15,33H,4,7-12H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50232232
(4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...)Show SMILES CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C26H24ClN3O4/c1-29(2)9-6-10-34-21-13-18-16(12-20(21)31)22-19(30(18)3)11-15(14-7-4-5-8-17(14)27)23-24(22)26(33)28-25(23)32/h4-5,7-8,11-13,31H,6,9-10H2,1-3H3,(H,28,32,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374065
(CHEMBL270021)Show SMILES OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-2,6-7,14-16,34-35H,3-5,8-13H2,(H,31,36,37) | 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 | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232239
(4-(2-chlorophenyl)-9-hydroxy-8-(4-morpholinobutyl)...)Show SMILES Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O4/c29-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)5-3-4-8-32-9-11-36-12-10-32/h1-2,6-7,13-15,30,33H,3-5,8-12H2,(H,31,34,35) | 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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232237
(4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(4-morphol...)Show SMILES Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O4/c1-32-22-14-17(6-4-5-9-33-10-12-37-13-11-33)24(34)16-20(22)25-23(32)15-19(18-7-2-3-8-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,7-8,14-16,34H,4-6,9-13H2,1H3,(H,31,35,36) | 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 |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374067
(CHEMBL255427)Show SMILES Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O4/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50192349
(9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6...)Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1 Show InChI InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232238
(4-(2-chlorophenyl)-8-(4-(dimethylamino)butyl)-9-hy...)Show SMILES CN(C)CCCCc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O3/c1-30(2)11-7-6-8-15-12-20-18(14-22(15)32)23-21(31(20)3)13-17(16-9-4-5-10-19(16)28)24-25(23)27(34)29-26(24)33/h4-5,9-10,12-14,32H,6-8,11H2,1-3H3,(H,29,33,34) | 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 | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374066
(CHEMBL401776)Show SMILES CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C27H26ClN3O5/c1-30(2)8-5-11-36-22-14-19-17(13-21(22)33)23-20(31(19)9-10-32)12-16(15-6-3-4-7-18(15)28)24-25(23)27(35)29-26(24)34/h3-4,6-7,12-14,32-33H,5,8-11H2,1-2H3,(H,29,34,35) | 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 | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Wee1-like protein kinase
(Homo sapiens (Human)) | BDBM50374062
(CHEMBL257857)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCN1CCCC1 Show InChI InChI=1S/C28H26ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Wee1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50232241
(4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...)Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30) | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM50374071
(CHEMBL272946)Show SMILES Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C28H26ClN3O3/c29-20-9-2-1-8-17(20)18-14-22-24(26-25(18)27(34)31-28(26)35)19-15-23(33)16(13-21(19)30-22)7-3-4-10-32-11-5-6-12-32/h1-2,8-9,13-15,30,33H,3-7,10-12H2,(H,31,34,35) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human Cdc2 kinase PY15 phosphorylation in HT29 cells by Western blot |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374062
(CHEMBL257857)Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)(=O)CCCN1CCCC1 Show InChI InChI=1S/C28H26ClN3O5S/c1-31-20-15-23(38(36,37)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-3,7-8,13-15,33H,4-6,9-12H2,1H3,(H,30,34,35) | 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 | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50374060
(CHEMBL272267)Show SMILES Cn1c2cc(C(=O)NCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H25ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-3,6-7,12-14,34H,4-5,8-11H2,1H3,(H,30,35)(H,31,36,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of Chk1 |
Bioorg Med Chem Lett 18: 929-33 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.046 BindingDB Entry DOI: 10.7270/Q2ZS2XC3 |
More data for this Ligand-Target Pair | |