Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'skoufias' and Initial = 'da'   

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))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	50	-41.3	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23822 ((2R)-2-amino-3-{[(4-methylphenyl)diphenylmethyl]su...) Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO2S/c1-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18,19-10-6-3-7-11-19)27-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	100	-40.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23812 (CHEMBL232728 | S-Trityl-L-Cysteine (STLC) Analogue...) Show SMILES COC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO2S/c1-26-22(25)21(24)17-27-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21H,17,24H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	120	-39.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23819 ((2R)-2-amino-3-{[(4-fluorophenyl)diphenylmethyl]su...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20FNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	150	-38.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23777 ((2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfa...) Show SMILES CC(C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO2S/c1-14(2)19(15-9-5-3-6-10-15,16-11-7-4-8-12-16)23-13-17(20)18(21)22/h3-12,14,17H,13,20H2,1-2H3,(H,21,22)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	150	-38.6	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23802 (2-[(triphenylmethyl)sulfanyl]ethan-1-amine | Triph...) Show SMILES NCCSC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H21NS/c22-16-17-23-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17,22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	150	-38.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23776 ((2R)-2-amino-3-[(1,1-diphenylpentyl)sulfanyl]propa...) Show SMILES CCCCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	175	-38.2	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23778 ((2R)-2-amino-3-[(cyclohexyldiphenylmethyl)sulfanyl...) Show SMILES N[C@@H](CSC(C1CCCCC1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H27NO2S/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/h1-2,4-7,10-13,19-20H,3,8-9,14-16,23H2,(H,24,25)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	175	-38.2	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23820 ((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23781 ((2R)-2-amino-3-[(2H-1,3-benzodioxol-5-yldiphenylme...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2OCOc2c1)C(O)=O |r| Show InChI InChI=1S/C23H21NO4S/c24-19(22(25)26)14-29-23(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-12-20-21(13-18)28-15-27-20/h1-13,19H,14-15,24H2,(H,25,26)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23780 ((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O |r| Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(21-11-3-1-4-12-21,22-13-5-2-6-14-22)23-16-15-19-9-7-8-10-20(19)17-23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	200	-38.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23821 ((2R)-2-amino-3-{[(4-bromophenyl)diphenylmethyl]sul...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Br)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20BrNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	250	-37.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23775 ((2R)-2-amino-3-[(1,1-diphenylpropyl)sulfanyl]propa...) Show SMILES CCC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C18H21NO2S/c1-2-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)22-13-16(19)17(20)21/h3-12,16H,2,13,19H2,1H3,(H,20,21)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	450	-35.9	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23814 (S-Trityl-L-Cysteine (STLC) Analogue, 43 | methyl (...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C |r| Show InChI InChI=1S/C28H32N2O3S/c1-20(2)25(27(32)33-3)30-26(31)24(29)19-34-28(21-13-7-4-8-14-21,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,20,24-25H,19,29H2,1-3H3,(H,30,31)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	600	-35.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23827 ((2R)-2-amino-3-{[bis(4-methoxyphenyl)(phenyl)methy...) Show SMILES COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C24H25NO4S/c1-28-20-12-8-18(9-13-20)24(17-6-4-3-5-7-17,30-16-22(25)23(26)27)19-10-14-21(29-2)15-11-19/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	600	-35.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23805 ((2S)-2-amino-3-(triphenylmethoxy)propanoic acid | ...) Show SMILES N[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H21NO3/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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	750	-35.0	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23836 ((2R)-2-amino-3-{[9-(naphthalen-1-yl)-9H-fluoren-9-...) Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1cccc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	900	-34.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23830 ((2R)-2-amino-3-{[tris(4-methylphenyl)methyl]sulfan...) Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccc(C)cc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C25H27NO2S/c1-17-4-10-20(11-5-17)25(29-16-23(26)24(27)28,21-12-6-18(2)7-13-21)22-14-8-19(3)9-15-22/h4-15,23H,16,26H2,1-3H3,(H,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	-34.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23815 (2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propa...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCC(O)=O |r| Show InChI InChI=1S/C24H24N2O3S/c25-21(23(29)26-16-22(27)28)17-30-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,29)(H,27,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23831 ((2R)-2-amino-3-[(9-phenyl-9H-fluoren-9-yl)sulfanyl...) Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C22H19NO2S/c23-20(21(24)25)14-26-22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13,20H,14,23H2,(H,24,25)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23816 (2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]propa...) Show SMILES CC(NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C25H26N2O3S/c1-18(24(29)30)27-23(28)22(26)17-31-25(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-16,18,22H,17,26H2,1H3,(H,27,28)(H,29,30)/t18?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	-33.2	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23817 (S-Trityl-L-Cysteine (STLC) Analogue, 46 | methyl (...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C29H34N2O3S/c1-21(2)19-26(28(33)34-3)31-27(32)25(30)20-35-29(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,21,25-26H,19-20,30H2,1-3H3,(H,31,32)/t25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	-32.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23828 ((2R)-2-amino-3-{[bis(4-methylphenyl)(phenyl)methyl...) Show SMILES Cc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccc(C)cc1 |r| Show InChI InChI=1S/C24H25NO2S/c1-17-8-12-20(13-9-17)24(19-6-4-3-5-7-19,28-16-22(25)23(26)27)21-14-10-18(2)11-15-21/h3-15,22H,16,25H2,1-2H3,(H,26,27)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	-32.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23774 ((2R)-2-amino-3-[(1,1-diphenylethyl)sulfanyl]propan...) Show SMILES CC(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C17H19NO2S/c1-17(13-8-4-2-5-9-13,14-10-6-3-7-11-14)21-12-15(18)16(19)20/h2-11,15H,12,18H2,1H3,(H,19,20)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	-31.7	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23779 ((2R)-2-amino-3-[(naphthalen-1-yldiphenylmethyl)sul...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(O)=O |r| Show InChI InChI=1S/C26H23NO2S/c27-24(25(28)29)18-30-26(20-12-3-1-4-13-20,21-14-5-2-6-15-21)23-17-9-11-19-10-7-8-16-22(19)23/h1-17,24H,18,27H2,(H,28,29)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	-30.5	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23799 (2-amino-3-methyl-3-[(triphenylmethyl)sulfanyl]buta...) Show SMILES CC(C)(SC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)C(O)=O Show InChI InChI=1S/C24H25NO2S/c1-23(2,21(25)22(26)27)28-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h3-17,21H,25H2,1-2H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	5.23E+3	-29.8	n/a	n/a	n/a	n/a	n/a	6.9	22
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23833 ((2R)-2-amino-3-{[9-(4-fluorophenyl)-9H-fluoren-9-y...) Show SMILES N[C@@H](CSC1(c2ccccc2-c2ccccc12)c1ccc(F)cc1)C(O)=O |r| Show InChI InChI=1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	-29.8	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23818 ((2R)-2-[(2R)-2-amino-3-[(triphenylmethyl)sulfanyl]...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C44H40N2O3S2/c45-39(31-50-43(33-19-7-1-8-20-33,34-21-9-2-10-22-34)35-23-11-3-12-24-35)41(47)46-40(42(48)49)32-51-44(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38/h1-30,39-40H,31-32,45H2,(H,46,47)(H,48,49)/t39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	6.75E+3	-29.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23813 (S-Trityl-L-Cysteine (STLC) Analogue, 42 | diphenyl...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C35H31NO2S/c36-32(34(37)38-33(27-16-6-1-7-17-27)28-18-8-2-9-19-28)26-39-35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25,32-33H,26,36H2/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	7.00E+3	-29.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23832 ((2R)-2-amino-3-{[9-(4-methylphenyl)-9H-fluoren-9-y...) Show SMILES Cc1ccc(cc1)C1(SC[C@H](N)C(O)=O)c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C23H21NO2S/c1-15-10-12-16(13-11-15)23(27-14-21(24)22(25)26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,21H,14,24H2,1H3,(H,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	-27.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23824 ((2R)-2-amino-3-({[4-(hydroxymethyl)phenyl]diphenyl...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(CO)cc1)C(O)=O |r| Show InChI InChI=1S/C23H23NO3S/c24-21(22(26)27)16-28-23(18-7-3-1-4-8-18,19-9-5-2-6-10-19)20-13-11-17(15-25)12-14-20/h1-14,21,25H,15-16,24H2,(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	-27.7	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23825 ((2R)-2-amino-3-{[(4-hydroxyphenyl)diphenylmethyl]s...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(O)=O |r| Show InChI InChI=1S/C22H21NO3S/c23-20(21(25)26)15-27-22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-11-13-19(24)14-12-18/h1-14,20,24H,15,23H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	-26.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23829 ((2R)-2-amino-3-({bis[4-(hydroxymethyl)phenyl](phen...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccc(CO)cc1)c1ccc(CO)cc1)C(O)=O |r| Show InChI InChI=1S/C24H25NO4S/c25-22(23(28)29)16-30-24(19-4-2-1-3-5-19,20-10-6-17(14-26)7-11-20)21-12-8-18(15-27)9-13-21/h1-13,22,26-27H,14-16,25H2,(H,28,29)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	-26.5	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair				3D Structure (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM23826 ((2R)-2-amino-3-{[phenylbis(4-phenylphenyl)methyl]s...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C34H29NO2S/c35-32(33(36)37)24-38-34(29-14-8-3-9-15-29,30-20-16-27(17-21-30)25-10-4-1-5-11-25)31-22-18-28(19-23-31)26-12-6-2-7-13-26/h1-23,32H,24,35H2,(H,36,37)/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	3.50E+4	-25.4	n/a	n/a	n/a	n/a	n/a	n/a	25
Institut de Biologie Structurale					Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...				J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50216514 (4-(3-hydroxyphenyl)-7,7-dimethyl-2-thioxo-1,2,3,4,...) Show SMILES CC1(C)CC(=O)C2C(NC(=S)N=C2C1)c1cccc(O)c1 |w:7.15,c:11| Show InChI InChI=1S/C16H18N2O2S/c1-16(2)7-11-13(12(20)8-16)14(18-15(21)17-11)9-4-3-5-10(19)6-9/h3-6,13-14,19H,7-8H2,1-2H3,(H,18,21)	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	200	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))	BDBM50383085 (CHEMBL2031570) Show SMILES Cc1ccsc1CCn1c(CC(=O)Nc2ccc(F)cc2)c(O)n(-c2ccc(F)cc2)c1=S Show InChI InChI=1S/C24H21F2N3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-2-16(25)3-7-18)23(31)29(24(28)32)19-8-4-17(26)5-9-19/h2-9,11,13,31H,10,12,14H2,1H3,(H,27,30)	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	600	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay				J Med Chem 55: 2561-73 (2012) Article DOI: 10.1021/jm201290v BindingDB Entry DOI: 10.7270/Q2M909P0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50383082 (CHEMBL2031569) Show SMILES COc1ccc(cc1)-n1c(O)c(CC(=O)Nc2ccccc2)n(CCc2cccs2)c1=S Show InChI InChI=1S/C24H23N3O3S2/c1-30-19-11-9-18(10-12-19)27-23(29)21(16-22(28)25-17-6-3-2-4-7-17)26(24(27)31)14-13-20-8-5-15-32-20/h2-12,15,29H,13-14,16H2,1H3,(H,25,28)	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay				J Med Chem 55: 2561-73 (2012) Article DOI: 10.1021/jm201290v BindingDB Entry DOI: 10.7270/Q2M909P0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50216507 (5-furanoyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...) Show SMILES CC1=NC(=S)NC(C1C(=O)c1ccco1)c1cccc(O)c1 |w:6.16,t:1| Show InChI InChI=1S/C16H14N2O3S/c1-9-13(15(20)12-6-3-7-21-12)14(18-16(22)17-9)10-4-2-5-11(19)8-10/h2-8,13-14,19H,1H3,(H,18,22)	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	1.50E+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))	BDBM50216503 (4-(3-hydroxyphenyl)-2-thioxo-1,2,3,4,7,8-hexahydro...) Show SMILES Oc1cccc(c1)C1NC(=S)N=C2CCCC(=O)C12 |w:7.7,t:12| Show InChI InChI=1S/C14H14N2O2S/c17-9-4-1-3-8(7-9)13-12-10(15-14(19)16-13)5-2-6-11(12)18/h1,3-4,7,12-13,17H,2,5-6H2,(H,16,19)	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+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))	BDBM50383086 (CHEMBL2031571) Show SMILES COc1ccc(NC(=O)Cc2c(O)n(-c3ccccc3)c(=S)n2CCc2sccc2C)cc1 Show InChI InChI=1S/C25H25N3O3S2/c1-17-13-15-33-22(17)12-14-27-21(16-23(29)26-18-8-10-20(31-2)11-9-18)24(30)28(25(27)32)19-6-4-3-5-7-19/h3-11,13,15,30H,12,14,16H2,1-2H3,(H,26,29)	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	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay				J Med Chem 55: 2561-73 (2012) Article DOI: 10.1021/jm201290v BindingDB Entry DOI: 10.7270/Q2M909P0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50216507 (5-furanoyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...) Show SMILES CC1=NC(=S)NC(C1C(=O)c1ccco1)c1cccc(O)c1 |w:6.16,t:1| Show InChI InChI=1S/C16H14N2O3S/c1-9-13(15(20)12-6-3-7-21-12)14(18-16(22)17-9)10-4-2-5-11(19)8-10/h2-8,13-14,19H,1H3,(H,18,22)	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	3.00E+3	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))	BDBM50216504 (2-acetyl-4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,...) Show SMILES CCOC(=O)C1=C(C)NC(=S)N(C1c1cccc(O)c1)C(C)=O |w:12.13,c:5| Show InChI InChI=1S/C16H18N2O4S/c1-4-22-15(21)13-9(2)17-16(23)18(10(3)19)14(13)11-6-5-7-12(20)8-11/h5-8,14,20H,4H2,1-3H3,(H,17,23)	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	3.80E+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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50216510 (4-(3-acetoxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...) Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(OC(C)=O)c1 |c:10| Show InChI InChI=1S/C16H18N2O4S/c1-4-21-15(20)13-9(2)17-16(23)18-14(13)11-6-5-7-12(8-11)22-10(3)19/h5-8,13-14H,4H2,1-3H3,(H,18,23)	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	3.90E+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))	BDBM50216512 (1-amino-5-[4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-...) Show SMILES CC1=NC(=S)NC(C1C(=O)NCCOCCOCCN)c1cccc(O)c1 |w:6.20,t:1| Show InChI InChI=1S/C18H26N4O4S/c1-12-15(17(24)20-6-8-26-10-9-25-7-5-19)16(22-18(27)21-12)13-3-2-4-14(23)11-13/h2-4,11,15-16,23H,5-10,19H2,1H3,(H,20,24)(H,22,27)	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	3.90E+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))	BDBM50216500 (4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...) Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCS)c1cccc(O)c1 |w:6.17,t:1| Show InChI InChI=1S/C16H20N2O4S2/c1-10-13(15(20)22-6-5-21-7-8-23)14(18-16(24)17-10)11-3-2-4-12(19)9-11/h2-4,9,13-14,19,23H,5-8H2,1H3,(H,18,24)	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	4.00E+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))	BDBM50216501 (4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...) Show SMILES CC(=O)SCCOCCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:13.20,c:17| Show InChI InChI=1S/C18H22N2O5S2/c1-11-15(17(23)25-7-6-24-8-9-27-12(2)21)16(20-18(26)19-11)13-4-3-5-14(22)10-13/h3-5,10,15-16,22H,6-9H2,1-2H3,(H,20,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+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))	BDBM50216499 (CHEMBL391848 | ethyl 6-(3-acetoxyphenyl)-1-acetyl-...) Show SMILES CCOC(=O)C1=C(C)NC(=S)N(C1c1cccc(OC(C)=O)c1)C(C)=O |w:12.13,c:5| Show InChI InChI=1S/C18H20N2O5S/c1-5-24-17(23)15-10(2)19-18(26)20(11(3)21)16(15)13-7-6-8-14(9-13)25-12(4)22/h6-9,16H,5H2,1-4H3,(H,19,26)	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	5.00E+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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50216500 (4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...) Show SMILES CC1=NC(=S)NC(C1C(=O)OCCOCCS)c1cccc(O)c1 |w:6.17,t:1| Show InChI InChI=1S/C16H20N2O4S2/c1-10-13(15(20)22-6-5-21-7-8-23)14(18-16(24)17-10)11-3-2-4-12(19)9-11/h2-4,9,13-14,19,23H,5-8H2,1H3,(H,18,24)	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	5.50E+3	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	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)

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