Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'venkatasubramanian' and Initial = 'u'   

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))	BDBM50293760 (2-(3-fluoro-4-methoxyphenylamino)-1-(2-(trifluorom...) Show SMILES COc1ccc(Nc2nc3cc(ccc3n2Cc2ccccc2C(F)(F)F)C(O)=O)cc1F Show InChI InChI=1S/C23H17F4N3O3/c1-33-20-9-7-15(11-17(20)24)28-22-29-18-10-13(21(31)32)6-8-19(18)30(22)12-14-4-2-3-5-16(14)23(25,26)27/h2-11H,12H2,1H3,(H,28,29)(H,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	459	n/a	n/a	n/a	n/a	n/a	n/a
Alagappa University Curated by ChEMBL					Assay Description Inhibition of mitotic kinesin Eg5 (unknown origin)				Eur J Med Chem 148: 106-115 (2018) Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9
					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	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alagappa University Curated by ChEMBL					Assay Description Inhibition of mitotic kinesin Eg5 (unknown origin)				Eur J Med Chem 148: 106-115 (2018) Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50316145 (CHEMBL4176343) Show SMILES CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)c2cccc(c2)C(F)(F)F)c1-c1ccccc1 Show InChI InChI=1S/C25H24F3N5O2/c1-16(34)31-22-21(17-7-3-2-4-8-17)23(30-15-29-22)33-12-6-11-20(14-33)32-24(35)18-9-5-10-19(13-18)25(26,27)28/h2-5,7-10,13,15,20H,6,11-12,14H2,1H3,(H,32,35)(H,29,30,31,34)	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	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alagappa University Curated by ChEMBL					Assay Description Inhibition of human mitotic kinesin Eg5 motor domain (1 to 368 residues) assessed as reduction in steady-state basal ATPase activity using ATP as sub...				Eur J Med Chem 148: 106-115 (2018) Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50316143 (CHEMBL4159757) Show SMILES CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)COc2cccc(Cl)c2)c1-c1ccccc1 Show InChI InChI=1S/C25H26ClN5O3/c1-17(32)29-24-23(18-7-3-2-4-8-18)25(28-16-27-24)31-12-6-10-20(14-31)30-22(33)15-34-21-11-5-9-19(26)13-21/h2-5,7-9,11,13,16,20H,6,10,12,14-15H2,1H3,(H,30,33)(H,27,28,29,32)	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	9.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Alagappa University Curated by ChEMBL					Assay Description Inhibition of human mitotic kinesin Eg5 motor domain (1 to 368 residues) assessed as reduction in steady-state basal ATPase activity using ATP as sub...				Eur J Med Chem 148: 106-115 (2018) Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9
					More data for this Ligand-Target Pair
Kinesin-like protein KIF11 (Homo sapiens (Human))	BDBM50316144 (CHEMBL4166354) Show SMILES CC(=O)Nc1ncnc(N2CCCC(C2)NC(=O)Cc2cccc(F)c2)c1-c1ccccc1 Show InChI InChI=1S/C25H26FN5O2/c1-17(32)29-24-23(19-8-3-2-4-9-19)25(28-16-27-24)31-12-6-11-21(15-31)30-22(33)14-18-7-5-10-20(26)13-18/h2-5,7-10,13,16,21H,6,11-12,14-15H2,1H3,(H,30,33)(H,27,28,29,32)	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	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Alagappa University Curated by ChEMBL					Assay Description Inhibition of human mitotic kinesin Eg5 motor domain (1 to 368 residues) assessed as reduction in steady-state basal ATPase activity using ATP as sub...				Eur J Med Chem 148: 106-115 (2018) Article DOI: 10.1016/j.ejmech.2018.02.010 BindingDB Entry DOI: 10.7270/Q25141R9
					More data for this Ligand-Target Pair