Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50036766   

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))	BDBM50082524 (2,6-Bis(3-pyrrolidinopropionamido)anthracene-9,10-...) Show SMILES Oc1c2ccc(NC(=O)CC[NH+]3CCCC3)cc2c(O)c2ccc(NC(=O)CC[NH+]3CCCC3)cc12 Show InChI InChI=1S/C28H34N4O4/c33-25(9-15-31-11-1-2-12-31)29-19-5-7-21-23(17-19)27(35)22-8-6-20(18-24(22)28(21)36)30-26(34)10-16-32-13-3-4-14-32/h5-8,17-18,35-36H,1-4,9-16H2,(H,29,33)(H,30,34)/p+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50080847 (3,6-Bis(3-piperidinopropionamido)acridine | 3-Pipe...) Show SMILES O=C(CCN1CCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCC4)cc3nc2c1 Show InChI InChI=1S/C29H37N5O2/c35-28(11-17-33-13-3-1-4-14-33)30-24-9-7-22-19-23-8-10-25(21-27(23)32-26(22)20-24)31-29(36)12-18-34-15-5-2-6-16-34/h7-10,19-21H,1-6,11-18H2,(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	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50080840 (3,6-Bis[3-(azepan-1-yl)propionamido]acridine | 3,6...) Show SMILES O=C(CCN1CCCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCCC4)cc3nc2c1 Show InChI InChI=1S/C31H41N5O2/c37-30(13-19-35-15-5-1-2-6-16-35)32-26-11-9-24-21-25-10-12-27(23-29(25)34-28(24)22-26)33-31(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-23H,1-8,13-20H2,(H,32,37)(H,33,38)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50082532 (2,6-Bis(3-piperidinopropionamido)anthracene-9,10-d...) Show SMILES Oc1c2ccc(NC(=O)CC[NH+]3CCCCC3)cc2c(O)c2ccc(NC(=O)CC[NH+]3CCCCC3)cc12 Show InChI InChI=1S/C30H38N4O4/c35-27(11-17-33-13-3-1-4-14-33)31-21-7-9-23-25(19-21)29(37)24-10-8-22(20-26(24)30(23)38)32-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20,37-38H,1-6,11-18H2,(H,31,35)(H,32,36)/p+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50080849 (3,6-Bis(3-pyrrolidinopropionamido)acridine | 3-PYR...) Show SMILES O=C(CCN1CCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCC4)cc3nc2c1 Show InChI InChI=1S/C27H33N5O2/c33-26(9-15-31-11-1-2-12-31)28-22-7-5-20-17-21-6-8-23(19-25(21)30-24(20)18-22)29-27(34)10-16-32-13-3-4-14-32/h5-8,17-19H,1-4,9-16H2,(H,28,33)(H,29,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50082530 (2,6-Bis[3-(hexamethyleneimino)propionamido]anthrac...) Show SMILES Oc1c2ccc(NC(=O)CC[NH+]3CCCCCC3)cc2c(O)c2ccc(NC(=O)CC[NH+]3CCCCCC3)cc12 Show InChI InChI=1S/C32H42N4O4/c37-29(13-19-35-15-5-1-2-6-16-35)33-23-9-11-25-27(21-23)31(39)26-12-10-24(22-28(26)32(25)40)34-30(38)14-20-36-17-7-3-4-8-18-36/h9-12,21-22,39-40H,1-8,13-20H2,(H,33,37)(H,34,38)/p+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50080852 (3,6-Bis[3-(heptamethyleneimino)piperizinopropionam...) Show SMILES O=C(CCN1CCCCCCC1)Nc1ccc2cc3ccc(NC(=O)CCN4CCCCCCC4)cc3nc2c1 Show InChI InChI=1S/C33H45N5O2/c39-32(15-21-37-17-7-3-1-4-8-18-37)34-28-13-11-26-23-27-12-14-29(25-31(27)36-30(26)24-28)35-33(40)16-22-38-19-9-5-2-6-10-20-38/h11-14,23-25H,1-10,15-22H2,(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	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50082526 (2,6-Bis[3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octa...) Show SMILES CC12CC(CC(C)(C)C1)[N@@H+](CCC(=O)Nc1ccc3c(O)c4cc(NC(=O)CC[N@@H+]5CC6(C)CC5CC(C)(C)C6)ccc4c(O)c3c1)C2 |r,TLB:28:29:33:36.35.39,THB:10:9:2:5.4.8| Show InChI InChI=1S/C40H54N4O4/c1-37(2)17-27-19-39(5,21-37)23-43(27)13-11-33(45)41-25-7-9-29-31(15-25)35(47)30-10-8-26(16-32(30)36(29)48)42-34(46)12-14-44-24-40(6)20-28(44)18-38(3,4)22-40/h7-10,15-16,27-28,47-48H,11-14,17-24H2,1-6H3,(H,41,45)(H,42,46)/p+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50080846 (3,6-Bis[3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octa...) Show SMILES CC12CC(CC(C)(C)C1)N(CCC(=O)Nc1ccc3cc4ccc(NC(=O)CCN5CC6(C)CC5CC(C)(C)C6)cc4nc3c1)C2 |TLB:10:9:2:5.4.8,28:29:33:36.35.39| Show InChI InChI=1S/C39H53N5O2/c1-36(2)18-30-20-38(5,22-36)24-43(30)13-11-34(45)40-28-9-7-26-15-27-8-10-29(17-33(27)42-32(26)16-28)41-35(46)12-14-44-25-39(6)21-31(44)19-37(3,4)23-39/h7-10,15-17,30-31H,11-14,18-25H2,1-6H3,(H,40,45)(H,41,46)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50082528 (2,6-Bis[3-(heptamethyleneimino)propionamido]anthra...) Show SMILES Oc1c2ccc(NC(=O)CC[NH+]3CCCCCCC3)cc2c(O)c2ccc(NC(=O)CC[NH+]3CCCCCCC3)cc12 Show InChI InChI=1S/C34H46N4O4/c39-31(15-21-37-17-7-3-1-4-8-18-37)35-25-11-13-27-29(23-25)33(41)28-14-12-26(24-30(28)34(27)42)36-32(40)16-22-38-19-9-5-2-6-10-20-38/h11-14,23-24,41-42H,1-10,15-22H2,(H,35,39)(H,36,40)/p+2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibitory activity against Telomerase evaluated by TRAP Assay studies.				J Med Chem 42: 4538-46 (1999) BindingDB Entry DOI: 10.7270/Q2J103VC
					More data for this Ligand-Target Pair