Found 36 hits in this display 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)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boston University
Curated by ChEMBL
| Assay Description Inhibition of Kinesin Eg5 (unknown origin) |
J Med Chem 62: 10005-10025 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01732 BindingDB Entry DOI: 10.7270/Q2ZG6WHW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col... |
J Med Chem 56: 1878-93 (2013)
Article DOI: 10.1021/jm3014597 BindingDB Entry DOI: 10.7270/Q20866NN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction... |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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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 |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of C-terminal His-tagged microtubule-stimulated KSP motor domain (1 to 369) ATPase activity (unknown origin) preincubated for 30 mins foll... |
Eur J Med Chem 70: 427-33 (2013)
Article DOI: 10.1016/j.ejmech.2013.09.042 BindingDB Entry DOI: 10.7270/Q289179H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Shizuoka
Curated by ChEMBL
| Assay Description Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 1004-9 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00221 BindingDB Entry DOI: 10.7270/Q2WM1G76 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037957
(CHEMBL3358280)Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)N[C@@H]1CCNC1 |r| Show InChI InChI=1S/C31H32F3N3O2/c1-3-5-23-17-25(11-8-20(23)2)29(38)37-28(30(39)36-27-14-15-35-19-27)16-21-9-12-22(13-10-21)24-6-4-7-26(18-24)31(32,33)34/h3-13,17-18,27-28,35H,14-16,19H2,1-2H3,(H,36,39)(H,37,38)/b5-3+/t27-,28-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037892
(CHEMBL3358262)Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1cc(C)oc1C1CC1 Show InChI InChI=1S/C29H32F3N3O3/c1-18-15-24(26(38-18)21-11-12-21)27(36)34-25(28(37)33-13-14-35(2)3)16-19-7-9-20(10-8-19)22-5-4-6-23(17-22)29(30,31)32/h4-10,15,17,21,25H,11-14,16H2,1-3H3,(H,33,37)(H,34,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037959
(CHEMBL3358278)Show SMILES CCCc1cc(sc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO3S/c1-3-5-18-14-22(33-15(18)2)23(30)29-21(24(31)32)12-16-8-10-17(11-9-16)19-6-4-7-20(13-19)25(26,27)28/h4,6-11,13-14,21H,3,5,12H2,1-2H3,(H,29,30)(H,31,32)/t21-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037894
(CHEMBL3358260)Show SMILES CCOc1cccc(c1)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(=O)NCCN(C)C Show InChI InChI=1S/C29H32F3N3O3/c1-4-38-25-10-6-8-23(19-25)27(36)34-26(28(37)33-15-16-35(2)3)17-20-11-13-21(14-12-20)22-7-5-9-24(18-22)29(30,31)32/h5-14,18-19,26H,4,15-17H2,1-3H3,(H,33,37)(H,34,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037955
(CHEMBL3358282)Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C27H24F3NO3/c1-3-5-20-15-22(11-8-17(20)2)25(32)31-24(26(33)34)14-18-9-12-19(13-10-18)21-6-4-7-23(16-21)27(28,29)30/h3-13,15-16,24H,14H2,1-2H3,(H,31,32)(H,33,34)/b5-3+/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 4.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037888
(CHEMBL3358266)Show SMILES CCc1cccc(c1)-c1ccc(CC(NC(=O)c2ccc(OC)c(COC)c2)C(=O)NCCN(C)C)cc1 Show InChI InChI=1S/C31H39N3O4/c1-6-22-8-7-9-25(18-22)24-12-10-23(11-13-24)19-28(31(36)32-16-17-34(2)3)33-30(35)26-14-15-29(38-5)27(20-26)21-37-4/h7-15,18,20,28H,6,16-17,19,21H2,1-5H3,(H,32,36)(H,33,35) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Université Louis Pasteur
Curated by ChEMBL
| Assay Description Inhibition of Eg5 ATPase activity expressed in HeLa cells after 12 hrs |
Bioorg Med Chem 15: 6474-88 (2007)
Article DOI: 10.1016/j.bmc.2007.06.016 BindingDB Entry DOI: 10.7270/Q2X63MPM |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Université Louis Pasteur
Curated by ChEMBL
| Assay Description Inhibition of Eg5 ATPase activity expressed in Escherichia coli after 12 hrs |
Bioorg Med Chem 15: 6474-88 (2007)
Article DOI: 10.1016/j.bmc.2007.06.016 BindingDB Entry DOI: 10.7270/Q2X63MPM |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 7.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human ATPase activity KSP expressed in Escherichia coli after 30 mins by spectrophotometric analysis |
Bioorg Med Chem 19: 5612-27 (2011)
Article DOI: 10.1016/j.bmc.2011.07.029 BindingDB Entry DOI: 10.7270/Q2B858HD |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037954
(CHEMBL3358283)Show SMILES C\C=C\c1cc(ccc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C27H24F3NO3/c1-3-5-20-15-22(11-8-17(20)2)25(32)31-24(26(33)34)14-18-9-12-19(13-10-18)21-6-4-7-23(16-21)27(28,29)30/h3-13,15-16,24H,14H2,1-2H3,(H,31,32)(H,33,34)/b5-3+/t24-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.23E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS-Université Louis Pasteur
Curated by ChEMBL
| Assay Description Inhibition of microtubule-stimulated Eg5 ATPase activity expressed in Escherichia coli after 12 hrs |
Bioorg Med Chem 15: 6474-88 (2007)
Article DOI: 10.1016/j.bmc.2007.06.016 BindingDB Entry DOI: 10.7270/Q2X63MPM |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indian Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of HsEg5 |
Eur J Med Chem 46: 3274-81 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.048 BindingDB Entry DOI: 10.7270/Q2T1541D |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Central Drug Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Eg5 (unknown origin) |
Eur J Med Chem 60: 120-7 (2013)
Article DOI: 10.1016/j.ejmech.2012.11.044 BindingDB Entry DOI: 10.7270/Q24M95VR |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037910
(CHEMBL3358251)Show SMILES OC(=O)[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)NC(=O)c1ccccc1OCc1ccccc1 |r| Show InChI InChI=1S/C30H24F3NO4/c31-30(32,33)24-10-6-9-23(18-24)22-15-13-20(14-16-22)17-26(29(36)37)34-28(35)25-11-4-5-12-27(25)38-19-21-7-2-1-3-8-21/h1-16,18,26H,17,19H2,(H,34,35)(H,36,37)/t26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037958
(CHEMBL3358279)Show SMILES CCCc1cc(sc1C)C(=O)N[C@@H](Cc1ccc(cc1)-c1cccc(c1)C(F)(F)F)C(O)=O |r| Show InChI InChI=1S/C25H24F3NO3S/c1-3-5-18-14-22(33-15(18)2)23(30)29-21(24(31)32)12-16-8-10-17(11-9-16)19-6-4-7-20(13-19)25(26,27)28/h4,6-11,13-14,21H,3,5,12H2,1-2H3,(H,29,30)(H,31,32)/t21-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tanta University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His-tagged Eg5 (1 to 368 residues) assessed as reduction in ATPase activity by Bradford reagent based assay |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.115126 BindingDB Entry DOI: 10.7270/Q2833WG9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of CYP1A2 |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 |
J Med Chem 55: 1511-25 (2012)
Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cairo University
Curated by ChEMBL
| Assay Description Inhibition of Eg5 (unknown origin) |
Eur J Med Chem 62: 614-31 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.031 BindingDB Entry DOI: 10.7270/Q2KH0PP9 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037887
(CHEMBL3358267)Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1cccc(c1)C(C)C)C(=O)NCCN(C)C Show InChI InChI=1S/C32H41N3O4/c1-22(2)25-8-7-9-26(19-25)24-12-10-23(11-13-24)18-29(32(37)33-16-17-35(3)4)34-31(36)27-14-15-30(39-6)28(20-27)21-38-5/h7-15,19-20,22,29H,16-18,21H2,1-6H3,(H,33,37)(H,34,36) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50382559
(ISPINESIB)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H33ClN4O2/c1-20(2)27(34(17-7-16-32)29(36)23-12-10-21(3)11-13-23)28-33-26-18-24(31)14-15-25(26)30(37)35(28)19-22-8-5-4-6-9-22/h4-6,8-15,18,20,27H,7,16-17,19,32H2,1-3H3/t27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037953
(CHEMBL3358249)Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1nc2snc(C)c2c(=O)n1Cc1ccccc1 |r| 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/t24-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037968
(CHEMBL3358269)Show SMILES COCc1cc(ccc1OC)C(=O)NC(Cc1ccc(cc1)-c1ccccc1)C(=O)NCCN(C)C Show InChI InChI=1S/C29H35N3O4/c1-32(2)17-16-30-29(34)26(18-21-10-12-23(13-11-21)22-8-6-5-7-9-22)31-28(33)24-14-15-27(36-4)25(19-24)20-35-3/h5-15,19,26H,16-18,20H2,1-4H3,(H,30,34)(H,31,33) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIFC1
(Homo sapiens (Human)) | BDBM50037900
(CHEMBL3358254)Show SMILES CN(C)CCNC(=O)C(Cc1ccc(cc1)-c1nccn1C)NC(=O)c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C31H35N5O3/c1-35(2)19-17-33-31(38)27(21-23-13-15-25(16-14-23)29-32-18-20-36(29)3)34-30(37)26-11-7-8-12-28(26)39-22-24-9-5-4-6-10-24/h4-16,18,20,27H,17,19,21-22H2,1-3H3,(H,33,38)(H,34,37) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green as... |
J Med Chem 57: 9958-70 (2014)
Article DOI: 10.1021/jm501179r BindingDB Entry DOI: 10.7270/Q2QF8VG8 |
More data for this Ligand-Target Pair | |