Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50030576   

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))	BDBM50134030 (9-[4-(N,N-dimethylamino)phenylamino]-3,6-bis(3-pyr...) Show SMILES CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1 Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298376 (4,5-Bis[3-(N,N-dimethylamino)propylaminomethyl]acr...) Show SMILES CN(C)CCCNCc1cccc2cc3cccc(CNCCCN(C)C)c3nc12 Show InChI InChI=1S/C25H37N5/c1-29(2)15-7-13-26-18-22-11-5-9-20-17-21-10-6-12-23(25(21)28-24(20)22)19-27-14-8-16-30(3)4/h5-6,9-12,17,26-27H,7-8,13-16,18-19H2,1-4H3	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	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298371 (2,2'-[4,5-Acridindiylbis(methyleneimino)]bis(N,N,N...) Show SMILES C[N+](C)(C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CC[N+](C)(C)C)c3nc12 Show InChI InChI=1S/C27H37N5O2/c1-31(2,3)15-13-24(33)28-18-22-11-7-9-20-17-21-10-8-12-23(27(21)30-26(20)22)19-29-25(34)14-16-32(4,5)6/h7-12,17H,13-16,18-19H2,1-6H3/p+2	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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298372 (2,2'-[4,5-Acridindiylbis(methyleneimino)]bis[N-met...) Show SMILES C[N+]1(CCC(=O)NCc2cccc3cc4cccc(CNC(=O)CC[N+]5(C)CCCC5)c4nc23)CCCC1 Show InChI InChI=1S/C31H41N5O2/c1-35(15-3-4-16-35)19-13-28(37)32-22-26-11-7-9-24-21-25-10-8-12-27(31(25)34-30(24)26)23-33-29(38)14-20-36(2)17-5-6-18-36/h7-12,21H,3-6,13-20,22-23H2,1-2H3/p+2	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298373 (4,5-Bis[2-(N,N-dimethylamino)ethylaminomethyl]acri...) Show SMILES CN(C)CCNCc1cccc2cc3cccc(CNCCN(C)C)c3nc12 Show InChI InChI=1S/C23H33N5/c1-27(2)13-11-24-16-20-9-5-7-18-15-19-8-6-10-21(23(19)26-22(18)20)17-25-12-14-28(3)4/h5-10,15,24-25H,11-14,16-17H2,1-4H3	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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298374 (CHEMBL577150 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES O=C(CCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCN4CCCC4)c3nc12 Show InChI InChI=1S/C29H37N5O2/c35-26(11-17-33-13-1-2-14-33)30-20-24-9-5-7-22-19-23-8-6-10-25(29(23)32-28(22)24)21-31-27(36)12-18-34-15-3-4-16-34/h5-10,19H,1-4,11-18,20-21H2,(H,30,35)(H,31,36)	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	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298375 (2,2'-[4,5-Acridindiylbis(methyleneimino)]bis(N,N,N...) Show SMILES C[N+](C)(C)CC(=O)NCc1cccc2cc3cccc(CNC(=O)C[N+](C)(C)C)c3nc12 Show InChI InChI=1S/C25H33N5O2/c1-29(2,3)16-22(31)26-14-20-11-7-9-18-13-19-10-8-12-21(25(19)28-24(18)20)15-27-23(32)17-30(4,5)6/h7-13H,14-17H2,1-6H3/p+2	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	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298377 (CHEMBL576188 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES O=C(CCCN1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CCCN4CCCCC4)c3nc12 Show InChI InChI=1S/C33H45N5O2/c39-30(15-9-21-37-17-3-1-4-18-37)34-24-28-13-7-11-26-23-27-12-8-14-29(33(27)36-32(26)28)25-35-31(40)16-10-22-38-19-5-2-6-20-38/h7-8,11-14,23H,1-6,9-10,15-22,24-25H2,(H,34,39)(H,35,40)	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	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298378 (CHEMBL573120 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES O=C(CCCN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CCCN4CCCC4)c3nc12 Show InChI InChI=1S/C31H41N5O2/c37-28(13-7-19-35-15-1-2-16-35)32-22-26-11-5-9-24-21-25-10-6-12-27(31(25)34-30(24)26)23-33-29(38)14-8-20-36-17-3-4-18-36/h5-6,9-12,21H,1-4,7-8,13-20,22-23H2,(H,32,37)(H,33,38)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298379 (2,2'-[4,5-Acridindiylbis(methyleneimino)]bis[N-met...) Show SMILES C[N+]1(CC(=O)NCc2cccc3cc4cccc(CNC(=O)C[N+]5(C)CCCC5)c4nc23)CCCC1 Show InChI InChI=1S/C29H37N5O2/c1-33(13-3-4-14-33)20-26(35)30-18-24-11-7-9-22-17-23-10-8-12-25(29(23)32-28(22)24)19-31-27(36)21-34(2)15-5-6-16-34/h7-12,17H,3-6,13-16,18-21H2,1-2H3/p+2	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	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298380 (2,2'-[4,5-Acridindiylbis(methyleneimino)]bis[N-met...) Show SMILES C[N+]1(CC(=O)NCc2cccc3cc4cccc(CNC(=O)C[N+]5(C)CCCCC5)c4nc23)CCCCC1 Show InChI InChI=1S/C31H41N5O2/c1-35(15-5-3-6-16-35)22-28(37)32-20-26-13-9-11-24-19-25-12-10-14-27(31(25)34-30(24)26)21-33-29(38)23-36(2)17-7-4-8-18-36/h9-14,19H,3-8,15-18,20-23H2,1-2H3/p+2	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	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298381 (CHEMBL573386 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES CN(C)CC(=O)NCc1cccc2cc3cccc(CNC(=O)CN(C)C)c3nc12 Show InChI InChI=1S/C23H29N5O2/c1-27(2)14-20(29)24-12-18-9-5-7-16-11-17-8-6-10-19(23(17)26-22(16)18)13-25-21(30)15-28(3)4/h5-11H,12-15H2,1-4H3,(H,24,29)(H,25,30)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298382 (CHEMBL573353 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES O=C(CN1CCCC1)NCc1cccc2cc3cccc(CNC(=O)CN4CCCC4)c3nc12 Show InChI InChI=1S/C27H33N5O2/c33-24(18-31-11-1-2-12-31)28-16-22-9-5-7-20-15-21-8-6-10-23(27(21)30-26(20)22)17-29-25(34)19-32-13-3-4-14-32/h5-10,15H,1-4,11-14,16-19H2,(H,28,33)(H,29,34)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298383 (CHEMBL575850 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES CN(C)CCC(=O)NCc1cccc2cc3cccc(CNC(=O)CCN(C)C)c3nc12 Show InChI InChI=1S/C25H33N5O2/c1-29(2)13-11-22(31)26-16-20-9-5-7-18-15-19-8-6-10-21(25(19)28-24(18)20)17-27-23(32)12-14-30(3)4/h5-10,15H,11-14,16-17H2,1-4H3,(H,26,31)(H,27,32)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298384 (CHEMBL573387 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES O=C(CCN1CCCCC1)NCc1cccc2cc3cccc(CNC(=O)CCN4CCCCC4)c3nc12 Show InChI InChI=1S/C31H41N5O2/c37-28(13-19-35-15-3-1-4-16-35)32-22-26-11-7-9-24-21-25-10-8-12-27(31(25)34-30(24)26)23-33-29(38)14-20-36-17-5-2-6-18-36/h7-12,21H,1-6,13-20,22-23H2,(H,32,37)(H,33,38)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298385 (CHEMBL573861 | N,N'-[4,5-Acridindiylbis(methylene)...) Show SMILES CN1CCN(CCC(=O)NCc2cccc3cc4cccc(CNC(=O)CCN5CCN(C)CC5)c4nc23)CC1 Show InChI InChI=1S/C31H43N7O2/c1-35-13-17-37(18-14-35)11-9-28(39)32-22-26-7-3-5-24-21-25-6-4-8-27(31(25)34-30(24)26)23-33-29(40)10-12-38-19-15-36(2)16-20-38/h3-8,21H,9-20,22-23H2,1-2H3,(H,32,39)(H,33,40)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50298386 (4,5-Bis(aminomethyl)acridine dihydrochloride salt ...) Show SMILES NCc1cccc2cc3cccc(CN)c3nc12 Show InChI InChI=1S/C15H15N3/c16-8-12-5-1-3-10-7-11-4-2-6-13(9-17)15(11)18-14(10)12/h1-7H,8-9,16-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Reims-Champagne-Ardenne Curated by ChEMBL					Assay Description Inhibition of human telomerase in A549 cells by TRAP assay				Eur J Med Chem 44: 3880-8 (2009) Article DOI: 10.1016/j.ejmech.2009.04.021 BindingDB Entry DOI: 10.7270/Q2W37WDH
					More data for this Ligand-Target Pair