Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 50003206   

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	n/a	n/a	n/a	>10	n/a	n/a	n/a	n/a	n/a
The Beatson Institute for Cancer Research Curated by ChEMBL					Assay Description Binding affinity to human wild type Eg5 at 250 uM by isothermal calorimetric analysis				J Med Chem 56: 6317-29 (2013) Article DOI: 10.1021/jm4006274 BindingDB Entry DOI: 10.7270/Q2M32X5D
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50468755 (CHEMBL4283764) Show SMILES CC(=O)NC1=NN(C(C)=O)[C@@](C)(S1)c1ccccc1 |r,t:4| Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titratio...				Eur J Med Chem 156: 641-651 (2018) Article DOI: 10.1016/j.ejmech.2018.07.006 BindingDB Entry DOI: 10.7270/Q2445Q52
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293744 (2-(4-sulfamoylphenylamino)-1-(2-(trifluoromethyl)b...) Show SMILES NC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(cc3)S(N)(=O)=O)nc2c1 Show InChI InChI=1S/C22H18F3N5O3S/c23-22(24,25)17-4-2-1-3-14(17)12-30-19-10-5-13(20(26)31)11-18(19)29-21(30)28-15-6-8-16(9-7-15)34(27,32)33/h1-11H,12H2,(H2,26,31)(H,28,29)(H2,27,32,33)	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	n/a	600	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50431886 (CHEMBL1413473) Show SMILES CC(=O)NC1=NN(C(C)=O)C(C)(S1)c1ccccc1 |t:4| Show InChI InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	665	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Binding affinity to N-terminal His6-tagged human Eg5 motor domain (1 to 368 residues) expressed in Escherichia coli BL21 (DE3) by isothermal titratio...				Eur J Med Chem 156: 641-651 (2018) Article DOI: 10.1016/j.ejmech.2018.07.006 BindingDB Entry DOI: 10.7270/Q2445Q52
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293759 (2-(4-methoxyphenylamino)-1-(2-(trifluoromethyl)ben...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1 Show InChI InChI=1S/C23H18F3N3O3/c1-32-17-9-7-16(8-10-17)27-22-28-19-12-14(21(30)31)6-11-20(19)29(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)	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	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293756 (2-(4-(methylthio)phenylamino)-1-(2-(trifluoromethy...) Show SMILES CSc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4OS/c1-32-17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50293753 (2-(4-(methylsulfonyl)phenylamino)-1-(2-(trifluorom...) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(N)=O)cc1 Show InChI InChI=1S/C23H19F3N4O3S/c1-34(32,33)17-9-7-16(8-10-17)28-22-29-19-12-14(21(27)31)6-11-20(19)30(22)13-15-4-2-3-5-18(15)23(24,25)26/h2-12H,13H2,1H3,(H2,27,31)(H,28,29)	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	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM92866 (KSP Inhibitor, 4g) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2OC(F)(F)F)C(O)=O)cc1 Show InChI InChI=1S/C23H18F3N3O4/c1-32-17-9-7-16(8-10-17)27-22-28-18-12-14(21(30)31)6-11-19(18)29(22)13-15-4-2-3-5-20(15)33-23(24,25)26/h2-12H,13H2,1H3,(H,27,28)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM92865 (KSP Inhibitor, 4d) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2OC)C(O)=O)cc1 Show InChI InChI=1S/C23H21N3O4/c1-29-18-10-8-17(9-11-18)24-23-25-19-13-15(22(27)28)7-12-20(19)26(23)14-16-5-3-4-6-21(16)30-2/h3-13H,14H2,1-2H3,(H,24,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM92864 (KSP Inhibitor, 4c) Show SMILES OC(=O)c1ccc2n(Cc3ccccc3C(F)(F)F)c(Nc3ccc(OCc4ccccc4)cc3)nc2c1 Show InChI InChI=1S/C29H22F3N3O3/c30-29(31,32)24-9-5-4-8-21(24)17-35-26-15-10-20(27(36)37)16-25(26)34-28(35)33-22-11-13-23(14-12-22)38-18-19-6-2-1-3-7-19/h1-16H,17-18H2,(H,33,34)(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Binding assay using temperature-dependent circular dichroism (TdCD). In TdCD, the loss of protein secondary structure was monitored as a function of...				Biochemistry 49: 8350-8 (2010) Article DOI: 10.1021/bi1005283 BindingDB Entry DOI: 10.7270/Q22V2DQ0
					More data for this Ligand-Target Pair