Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50039703   

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	Purchase 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))	BDBM50382584 (CHEMBL2023001) Show SMILES Cc1ccc(cc1)C(CC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17,25H2,1H3,(H,26,27)/t22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	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
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	4.20	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
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	5.10	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 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))	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	9.10	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 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))	BDBM50382560 (CHEMBL2023002) Show SMILES Cc1ccc(cc1)C(CCCN)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H25N/c1-19-13-15-22(16-14-19)23(17-8-18-24,20-9-4-2-5-10-20)21-11-6-3-7-12-21/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 Similars	Article PubMed	9.70	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382582 (CHEMBL2022999) Show SMILES Cc1ccc(cc1)C(CCC(N)C(O)=O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/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	9.80	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 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
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	10.2	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))	BDBM50382581 (CHEMBL2022998) Show SMILES NCCCC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H22ClN/c23-21-14-12-20(13-15-21)22(16-7-17-24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-15H,7,16-17,24H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.7	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
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	10.8	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382548 (CHEMBL2022995) 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-/m0/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	12.8	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))	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	13.6	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 (docked)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382583 (CHEMBL2023000) Show SMILES Cc1ccc(cc1)C(CC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO2/c1-18-12-14-21(15-13-18)24(17-16-22(25)23(26)27,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,22H,16-17,25H2,1H3,(H,26,27)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19.3	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
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	144	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))	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	152	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382547 (CHEMBL2022591) Show SMILES NCCCC(c1ccccc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H23N/c23-18-10-17-22(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h1-9,11-16H,10,17-18,23H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	203	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382555 (CHEMBL2022590) Show SMILES N[C@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H23NO2/c24-21(22(25)26)16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	211	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382553 (CHEMBL2022588) Show SMILES NC(CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O Show InChI InChI=1S/C23H23NO2/c24-21(22(25)26)16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	235	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
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50382554 (CHEMBL2022589) Show SMILES N[C@@H](CCC(c1ccccc1)(c1ccccc1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H23NO2/c24-21(22(25)26)16-17-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H,25,26)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	384	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