Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'wu' and Initial = 'wb'   

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
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264501 (CHEMBL253715 | CHEMBL484670 | N-(5-N-Methyl-10H-in...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H28N4/c1-4-27(5-2)16-10-15-24-21-18-12-7-9-14-20(18)26(3)23-17-11-6-8-13-19(17)25-22(21)23/h6-9,11-14,24H,4-5,10,15-16H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264595 (CHEMBL491633 | N-(7-Fluoro-5-N-methyl-10H-indolo[3...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3ccc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H27FN4/c1-4-28(5-2)14-8-13-25-21-17-9-6-7-10-20(17)27(3)23-18-15-16(24)11-12-19(18)26-22(21)23/h6-7,9-12,15,25H,4-5,8,13-14H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264499 (CHEMBL253508 | CHEMBL507633 | N-(5-N-Methyl-10H-in...) Show SMILES CN(C)CCCNc1c2[nH+]c3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H24N4/c1-24(2)14-8-13-22-19-16-10-5-7-12-18(16)25(3)21-15-9-4-6-11-17(15)23-20(19)21/h4-7,9-12,22H,8,13-14H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264635 (CHEMBL490013 | N-(7,9-Difluoro-5-N-methyl-10H-indo...) Show SMILES CCN(CC)CCCNc1c2[nH+]c3c(F)cc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C23H26F2N4/c1-4-29(5-2)12-8-11-26-21-16-9-6-7-10-19(16)28(3)23-17-13-15(24)14-18(25)20(17)27-22(21)23/h6-7,9-10,13-14,26H,4-5,8,11-12H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264593 (11-(3-(dimethylamino)propylamino)-7-fluoro-5-methy...) Show SMILES CN(C)CCCNc1c2[nH+]c3ccc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H23FN4/c1-25(2)12-6-11-23-19-15-7-4-5-8-18(15)26(3)21-16-13-14(22)9-10-17(16)24-20(19)21/h4-5,7-10,13,23H,6,11-12H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264535 (CHEMBL482414 | N-(5-N-Methyl-benzofuro[3,2-b]quino...) Show SMILES CN(C)CCC\[NH+]=c1/c2oc3ccccc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H23N3O/c1-23(2)14-8-13-22-19-15-9-4-6-11-17(15)24(3)20-16-10-5-7-12-18(16)25-21(19)20/h4-7,9-12H,8,13-14H2,1-3H3/p+1/b22-19-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50264633 (CHEMBL489811 | N-(7,9-Difluoro-5-N-methyl-10H-indo...) Show SMILES CN(C)CCCNc1c2[nH+]c3c(F)cc(F)cc3c2n(C)c2ccccc12 Show InChI InChI=1S/C21H22F2N4/c1-26(2)10-6-9-24-19-14-7-4-5-8-17(14)27(3)21-15-11-13(22)12-16(23)18(15)25-20(19)21/h4-5,7-8,11-12,24H,6,9-10H2,1-3H3/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50176906 (CHEMBL219728 | N'-(10H-indolo[3,2-b]quinolin-11-yl...) Show SMILES CN(C)CCCNc1c2[nH]c3ccccc3c2nc2ccccc12 Show InChI InChI=1S/C20H22N4/c1-24(2)13-7-12-21-18-14-8-3-5-10-16(14)22-19-15-9-4-6-11-17(15)23-20(18)19/h3-6,8-11,23H,7,12-13H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of telomerase in human MCF7 cells by cell-free telomerase repeat amplification protocol assay				J Med Chem 51: 6381-92 (2008) Article DOI: 10.1021/jm800497p BindingDB Entry DOI: 10.7270/Q2319VQ2
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349933 (CHEMBL1812144) Show SMILES ClC1=C2OC=C(CC=C)c3cccc(C(=O)C1=O)c23 |c:1,t:4| Show InChI InChI=1S/C15H9ClO3/c1-2-4-8-7-19-15-11-9(8)5-3-6-10(11)13(17)14(18)12(15)16/h2-3,5-7H,1,4H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349934 (CHEMBL1812139) Show SMILES CC1COC2=CC(=O)C(=O)c3cccc1c23 |t:4| Show InChI InChI=1S/C13H10O3/c1-7-6-16-11-5-10(14)13(15)9-4-2-3-8(7)12(9)11/h2-5,7H,6H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50349932 (CHEMBL1812137) Show SMILES OC1(Cc2ccccc2)COC2=CC(=O)C(=O)c3cccc1c23 |t:12| Show InChI InChI=1S/C19H14O4/c20-15-9-16-17-13(18(15)21)7-4-8-14(17)19(22,11-23-16)10-12-5-2-1-3-6-12/h1-9,22H,10-11H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50127140 ((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sun Yat-sen University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2 alpha-mediated relaxation of supercoiled pBR322 DNA after 30 mins by agarose gel electrophoresis				Eur J Med Chem 46: 3339-47 (2011) Article DOI: 10.1016/j.ejmech.2011.04.059 BindingDB Entry DOI: 10.7270/Q2513ZJD
					More data for this Ligand-Target Pair				3D Structure (crystal)