Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Kinesin-5 motor protein (KSP)'   

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 [1-973] (Homo sapiens (Human))	BDBM115177 ((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...) Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23Br2N3O4/c1-3-8-18(23(31)26-13-20(29)32-4-2)28-19-12-16(25)15(24)11-17(19)27-22(28)21(30)14-9-6-5-7-10-14/h5-7,9-12,18H,3-4,8,13H2,1-2H3,(H,26,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115175 ((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...) Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H21Br2N3O4/c1-2-32-19(29)12-26-23(31)20(13-8-9-13)28-18-11-16(25)15(24)10-17(18)27-22(28)21(30)14-6-4-3-5-7-14/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,26,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115164 (Ethyl 2-[2-(2-benzyl-5,6-dichloro-1H-benzo[d]imida...) Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(Cc2ccccc2)nc2cc(Cl)c(Cl)cc12 Show InChI InChI=1S/C23H25Cl2N3O3/c1-3-8-19(23(30)26-14-22(29)31-4-2)28-20-13-17(25)16(24)12-18(20)27-21(28)11-15-9-6-5-7-10-15/h5-7,9-10,12-13,19H,3-4,8,11,14H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115177 ((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...) Show SMILES CCCC(C(=O)NCC(=O)OCC)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H23Br2N3O4/c1-3-8-18(23(31)26-13-20(29)32-4-2)28-19-12-16(25)15(24)11-17(19)27-22(28)21(30)14-9-6-5-7-10-14/h5-7,9-12,18H,3-4,8,13H2,1-2H3,(H,26,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM23772 ((2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propanoi...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115167 (Ethyl 2-[2-(2-benzyl-5,6-dibromo-1H-benzo[d]imidaz...) Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(Cc2ccccc2)nc2cc(Br)c(Br)cc12 Show InChI InChI=1S/C23H23Br2N3O3/c1-2-31-21(29)13-26-23(30)22(15-8-9-15)28-19-12-17(25)16(24)11-18(19)27-20(28)10-14-6-4-3-5-7-14/h3-7,11-12,15,22H,2,8-10,13H2,1H3,(H,26,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115175 ((−)-Ethyl 2-[2-(2-benzoyl-5,6-dibromo-1H-ben...) Show SMILES CCOC(=O)CNC(=O)C(C1CC1)n1c(nc2cc(Br)c(Br)cc12)C(=O)c1ccccc1 Show InChI InChI=1S/C23H21Br2N3O4/c1-2-32-19(29)12-26-23(31)20(13-8-9-13)28-18-11-16(25)15(24)10-17(18)27-22(28)21(30)14-6-4-3-5-7-14/h3-7,10-11,13,20H,2,8-9,12H2,1H3,(H,26,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 [1-973] (Homo sapiens (Human))	BDBM115179 (Monastrol | ethyl 4-(3-hydroxyphenyl)-6-methyl-2-s...) Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago de Compostela, Jenaro de la Fuente s/n, Campus Vida, Santiago de Compostela 15782 (Spain)					Assay Description The IC50 measurements were done using a microtubule-activated ATPase kinetic assay according to the manufacturer's instructions. Reactions were ...				Chembiochem 15: 1471-80 (2014) Article DOI: 10.1002/cbic.201402089 BindingDB Entry DOI: 10.7270/Q29W0D5K
					More data for this Ligand-Target Pair