Compile Data Set for Download or QSAR

Found 14 hits with Last Name = 'kapoor' and Initial = 'tm'   

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
Dynein light chain 2, cytoplasmic (Human)	BDBM528572 (US11192893, Example 12) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c3ccc(Br)cc3c2=O)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528573 (US11192893, Example 27) Show SMILES Clc1ccc(cc1)C1CCC(CC1)c1nn2c([nH]c3ccccc3c2=O)c1C#N |(9.24,.55,;7.7,.55,;6.93,-.79,;5.39,-.79,;4.62,.55,;5.39,1.88,;6.93,1.88,;3.08,.55,;2.31,-.79,;.77,-.79,;0,.55,;.77,1.88,;2.31,1.88,;-1.54,.55,;-2.44,1.79,;-3.91,1.32,;-3.91,-.22,;-5.24,-.99,;-6.57,-.22,;-7.91,-.99,;-9.24,-.22,;-9.24,1.32,;-7.91,2.09,;-6.57,1.32,;-5.24,2.09,;-5.24,3.63,;-2.44,-.7,;-1.97,-2.16,;-1.49,-3.63,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528576 (US11192893, Example 31) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c3ccccc3c2=O)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528579 (US11192893, Example 29) Show SMILES Clc1ccc(OCCCc2nn3c([nH]c4ccccc4c3=O)c2C#N)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50326002 (2-[4-acetamidyl phenylamino]-4-[2-benzoyl phenylam...) Show SMILES CC(=O)Nc1ccc(Nc2ncc(c(Nc3ccccc3C(=O)c3ccccc3)n2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H20N6O4/c1-16(32)27-18-11-13-19(14-12-18)28-25-26-15-22(31(34)35)24(30-25)29-21-10-6-5-9-20(21)23(33)17-7-3-2-4-8-17/h2-15H,1H3,(H,27,32)(H2,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of recombinant polo-like kinase 1 activity by SDS-PAGE				Nat Chem Biol 2: 618-26 (2006) Article DOI: 10.1038/nchembio826 BindingDB Entry DOI: 10.7270/Q27M0843
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528571 (US11192893, Example 5) Show SMILES Clc1ccc(cc1)C1(CC1)c1nn2c([nH]c(=O)c3cc(I)ccc23)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Dynein light chain 2, cytoplasmic (Human)	BDBM528570 (US11192893, Example 4) Show SMILES FC(F)(F)c1ccc2c(c1)c(=O)[nH]c1c(C#N)c(nn21)C1(CC1)c1ccc(Cl)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested employing a microtubule gliding assay, a standard biochemical assay for motor proteins. The first set of studies focused on hum...				Citation and Details BindingDB Entry DOI: 10.7270/Q22J6G18
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM50263741 (5-Cyano-7-nitro-3-oxy-benzothiazole-2-carboxylic a...) Show SMILES NC(=O)c1sc2c(cc(cc2[n+]1[O-])C#N)[N+]([O-])=O Show InChI InChI=1S/C9H4N4O4S/c10-3-4-1-5-7(6(2-4)13(16)17)18-9(8(11)14)12(5)15/h1-2H,(H2,11,14)	PDB MMDB NCI pathway 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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of recombinant polo-like kinase 1 activity by SDS-PAGE				Nat Chem Biol 2: 618-26 (2006) Article DOI: 10.1038/nchembio826 BindingDB Entry DOI: 10.7270/Q27M0843
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of methyl-transferase activity in GST-tagged recombinant SET7/9 (unknown origin) expressed in Escherichia coli BL21 using H3(1-20)-cys-bio...				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of 10 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of 100 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity ...				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of 50 nM SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin at 15 to 50 uM after 5 mins by scintillation proximity a...				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of SET7 (unknown origin)-mediated methylation of histone H3(1-20)cys-biotin after 5 mins by scintillation proximity assay in presence of [...				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50001750 (CHEMBL3238424) Show SMILES OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21F3N2O2/c30-29(31,32)22-12-10-20(11-13-22)25-8-3-9-27-26(25)14-15-34(27)24-7-1-4-19(16-24)18-33-23-6-2-5-21(17-23)28(35)36/h1-17,33H,18H2,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a
Rockefeller University Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged human G9a-mediated-methylation of histone3 expressed in Escherichia coli BL21(DE3) by MALDI-TOF mass spectrometry				Bioorg Med Chem 22: 2253-60 (2014) Article DOI: 10.1016/j.bmc.2014.02.024 BindingDB Entry DOI: 10.7270/Q2FB54FG
					More data for this Ligand-Target Pair