Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50042531   

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))	BDBM50427294 (CHEMBL2325429 | SB-743921) Show SMILES CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 |r| Show InChI InChI=1S/C31H33ClN2O3/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3/t28-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	0.5	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 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	Purchase 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))	BDBM50427276 (CHEMBL2325412) Show SMILES CCc1cc(ccc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27NO2S/c1-3-19-16-22(15-14-18(19)2)25(20-10-6-4-7-11-20,21-12-8-5-9-13-21)29-17-23(26)24(27)28/h4-16,23H,3,17,26H2,1-2H3,(H,27,28)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.90	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427286 (CHEMBL2321913) Show SMILES Cc1ccc(cc1)C(SCCN)(c1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C22H23NOS/c1-17-10-12-19(13-11-17)22(25-15-14-23,18-6-3-2-4-7-18)20-8-5-9-21(24)16-20/h2-13,16,24H,14-15,23H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.80	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382546 (CHEMBL2022996) Show SMILES Cc1cccc(c1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.10	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))	BDBM50427282 (CHEMBL2325418) Show SMILES Cc1ccc(cc1C)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H27NO2/c1-18-13-14-22(17-19(18)2)25(16-15-23(26)24(27)28,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,17,23H,15-16,26H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427270 (CHEMBL2325406) Show SMILES COc1ccc(c(F)c1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H22FNO3S/c1-28-18-12-13-19(20(24)14-18)23(16-8-4-2-5-9-16,17-10-6-3-7-11-17)29-15-21(25)22(26)27/h2-14,21H,15,25H2,1H3,(H,26,27)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	10	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427266 (CHEMBL2325436) Show SMILES COc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25NO/c1-25-22-15-13-21(14-16-22)23(17-8-18-24,19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-16H,8,17-18,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382558 (CHEMBL2022997) Show SMILES Cc1cccc(c1)C(CCCN)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25N/c1-19-10-8-15-22(18-19)23(16-9-17-24,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-8,10-15,18H,9,16-17,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427265 (CHEMBL2325435) Show SMILES COc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO3/c1-28-21-14-12-20(13-15-21)24(17-16-22(25)23(26)27,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,22H,16-17,25H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427278 (CHEMBL2325414) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2CCCCc2c1)C(O)=O |r| Show InChI InChI=1S/C26H27NO2S/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/h1-6,11-17,24H,7-10,18,27H2,(H,28,29)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	16	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50427274 (CHEMBL2325410) Show SMILES Cc1ccc(cc1C)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2S/c1-17-13-14-21(15-18(17)2)24(19-9-5-3-6-10-19,20-11-7-4-8-12-20)28-16-22(25)23(26)27/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	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	19	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
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	22	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))	BDBM50427290 (CHEMBL2325425) Show SMILES Cc1ccc(cc1)C(CCCN)(c1ccccc1)c1cccc(O)c1 Show InChI InChI=1S/C23H25NO/c1-18-11-13-20(14-12-18)23(15-6-16-24,19-7-3-2-4-8-19)21-9-5-10-22(25)17-21/h2-5,7-14,17,25H,6,15-16,24H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	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
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	129	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)