Found 29 hits with Last Name = 'menta' and Initial = 'e' 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)) | BDBM50196500
(CHEMBL224754 | trimethyl(2-{6,8,17,19-tetraoxo-18-...)Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CC[N+](C)(C)C)c5=O Show InChI InChI=1S/C34H34N4O4/c1-37(2,3)17-15-35-31(39)23-11-7-19-21-9-13-25-30-26(34(42)36(33(25)41)16-18-38(4,5)6)14-10-22(28(21)30)20-8-12-24(32(35)40)29(23)27(19)20/h7-14H,15-18H2,1-6H3/q+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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196492
(2,9-bis-[2-(2-hydroxy-ethylamino)-ethyl]-anthra[2,...)Show SMILES OCCNCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCNCCO)c5=O Show InChI InChI=1S/C32H28N4O6/c37-15-11-33-9-13-35-29(39)21-5-1-17-18-2-6-23-28-24(32(42)36(31(23)41)14-10-34-12-16-38)8-4-20(26(18)28)19-3-7-22(30(35)40)27(21)25(17)19/h1-8,33-34,37-38H,9-16H2 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196500
(CHEMBL224754 | trimethyl(2-{6,8,17,19-tetraoxo-18-...)Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CC[N+](C)(C)C)c5=O Show InChI InChI=1S/C34H34N4O4/c1-37(2,3)17-15-35-31(39)23-11-7-19-21-9-13-25-30-26(34(42)36(33(25)41)16-18-38(4,5)6)14-10-22(28(21)30)20-8-12-24(32(35)40)29(23)27(19)20/h7-14H,15-18H2,1-6H3/q+2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196491
(2,9-bis-(2-dimethylamino-ethyl)-anthra[2,1,9-def;6...)Show SMILES CN(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCN(C)C)c5=O Show InChI InChI=1S/C32H28N4O4/c1-33(2)13-15-35-29(37)21-9-5-17-19-7-11-23-28-24(32(40)36(31(23)39)16-14-34(3)4)12-8-20(26(19)28)18-6-10-22(30(35)38)27(21)25(17)18/h5-12H,13-16H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196493
((N,N0-bis[2-(1-piperidino)ethyl]-3,4,9,10-perylene...)Show SMILES O=c1n(CCN2CCCCC2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCN1CCCCC1)c5=O Show InChI InChI=1S/C38H36N4O4/c43-35-27-11-7-23-25-9-13-29-34-30(38(46)42(37(29)45)22-20-40-17-5-2-6-18-40)14-10-26(32(25)34)24-8-12-28(33(27)31(23)24)36(44)41(35)21-19-39-15-3-1-4-16-39/h7-14H,1-6,15-22H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196492
(2,9-bis-[2-(2-hydroxy-ethylamino)-ethyl]-anthra[2,...)Show SMILES OCCNCCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCNCCO)c5=O Show InChI InChI=1S/C32H28N4O6/c37-15-11-33-9-13-35-29(39)21-5-1-17-18-2-6-23-28-24(32(42)36(31(23)41)14-10-34-12-16-38)8-4-20(26(18)28)19-3-7-22(30(35)40)27(21)25(17)19/h1-8,33-34,37-38H,9-16H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank 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 |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196499
(2,9-Bis-(2-piperidin-1-yl-ethyl)-1,2,3,8,9,10-hexa...)Show SMILES C(CN1Cc2ccc3c4ccc5CN(CCN6CCCCC6)Cc6ccc(c7ccc(C1)c2c37)c4c56)N1CCCCC1 Show InChI InChI=1S/C38H44N4/c1-3-15-39(16-4-1)19-21-41-23-27-7-11-31-33-13-9-29-25-42(22-20-40-17-5-2-6-18-40)26-30-10-14-34(38(33)36(29)30)32-12-8-28(24-41)35(27)37(31)32/h7-14H,1-6,15-26H2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin G |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196491
(2,9-bis-(2-dimethylamino-ethyl)-anthra[2,1,9-def;6...)Show SMILES CN(C)CCn1c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)c1=O)c46)c(=O)n(CCN(C)C)c5=O Show InChI InChI=1S/C32H28N4O4/c1-33(2)13-15-35-29(37)21-9-5-17-19-7-11-23-28-24(32(40)36(31(23)39)16-14-34(3)4)12-8-20(26(19)28)18-6-10-22(30(35)38)27(21)25(17)18/h5-12H,13-16H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50069989
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O |r| Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human chymase |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196501
(2,7-bis-(2-dimethylamino-ethyl)-benzo[lmn][3,8]phe...)Show SMILES CN(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCN(C)C)c3=O Show InChI InChI=1S/C22H24N4O4/c1-23(2)9-11-25-19(27)13-5-7-15-18-16(8-6-14(17(13)18)20(25)28)22(30)26(21(15)29)12-10-24(3)4/h5-8H,9-12H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Cathepsin G
(Homo sapiens (Human)) | BDBM50329819
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human cathepsin G |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196498
(CHEMBL275860 | NDI-1 | trimethyl(3-{5,7,12,14-tetr...)Show SMILES C[N+](C)(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCC[N+](C)(C)C)c3=O Show InChI InChI=1S/C26H34N4O4/c1-29(2,3)15-7-13-27-23(31)17-9-11-19-22-20(12-10-18(21(17)22)24(27)32)26(34)28(25(19)33)14-8-16-30(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196495
(CHEMBL225507 | trimethyl(2-{5,7,12,14-tetraoxo-13-...)Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC[N+](C)(C)C)c3=O Show InChI InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+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 | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50196503
(2,7-Bis-(3-dimethylamino-propyl)-benzo[lmn][3,8]ph...)Show SMILES CN(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCN(C)C)c3=O Show InChI InChI=1S/C24H28N4O4/c1-25(2)11-5-13-27-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(27)30)24(32)28(23(17)31)14-6-12-26(3)4/h7-10H,5-6,11-14H2,1-4H3 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of telomerase in JR8 cell extract by TRAP assay |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50329819
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human recombinant CYP3A4 |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
Chymase
(Homo sapiens (Human)) | BDBM50329819
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human chymase |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
Neutrophil elastase
(Homo sapiens (Human)) | BDBM50329819
((R)-1-((2S,3R)-3-hydroxy-2-(6-phenylpicolinamido)b...)Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(n1)-c1ccccc1)[C@@H](C)O)B(O)O Show InChI InChI=1S/C21H28BN3O5/c1-13(2)12-18(22(29)30)24-21(28)19(14(3)26)25-20(27)17-11-7-10-16(23-17)15-8-5-4-6-9-15/h4-11,13-14,18-19,26,29-30H,12H2,1-3H3,(H,24,28)(H,25,27)/t14-,18+,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 3.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cephalon, Inc.
Curated by ChEMBL
| Assay Description Inhibition of human neutrophil elastase 2 |
J Med Chem 51: 1068-72 (2008)
Article DOI: 10.1021/jm7010589 BindingDB Entry DOI: 10.7270/Q2XG9S0R |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196495
(CHEMBL225507 | trimethyl(2-{5,7,12,14-tetraoxo-13-...)Show SMILES C[N+](C)(C)CCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CC[N+](C)(C)C)c3=O Show InChI InChI=1S/C24H30N4O4/c1-27(2,3)13-11-25-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(25)30)24(32)26(23(17)31)12-14-28(4,5)6/h7-10H,11-14H2,1-6H3/q+2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196498
(CHEMBL275860 | NDI-1 | trimethyl(3-{5,7,12,14-tetr...)Show SMILES C[N+](C)(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCC[N+](C)(C)C)c3=O Show InChI InChI=1S/C26H34N4O4/c1-29(2,3)15-7-13-27-23(31)17-9-11-19-22-20(12-10-18(21(17)22)24(27)32)26(34)28(25(19)33)14-8-16-30(4,5)6/h9-12H,7-8,13-16H2,1-6H3/q+2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196493
((N,N0-bis[2-(1-piperidino)ethyl]-3,4,9,10-perylene...)Show SMILES O=c1n(CCN2CCCCC2)c(=O)c2ccc3c4ccc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCN1CCCCC1)c5=O Show InChI InChI=1S/C38H36N4O4/c43-35-27-11-7-23-25-9-13-29-34-30(38(46)42(37(29)45)22-20-40-17-5-2-6-18-40)14-10-26(32(25)34)24-8-12-28(33(27)31(23)24)36(44)41(35)21-19-39-15-3-1-4-16-39/h7-14H,1-6,15-22H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196496
(2,7-bis-[2-(2-hydroxy-ethylamino)-ethyl]-benzo[lmn...)Show SMILES OCCNCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCNCCO)c3=O Show InChI InChI=1S/C22H24N4O6/c27-11-7-23-5-9-25-19(29)13-1-2-14-18-16(4-3-15(17(13)18)21(25)31)22(32)26(20(14)30)10-6-24-8-12-28/h1-4,23-24,27-28H,5-12H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196503
(2,7-Bis-(3-dimethylamino-propyl)-benzo[lmn][3,8]ph...)Show SMILES CN(C)CCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCN(C)C)c3=O Show InChI InChI=1S/C24H28N4O4/c1-25(2)11-5-13-27-21(29)15-7-9-17-20-18(10-8-16(19(15)20)22(27)30)24(32)28(23(17)31)14-6-12-26(3)4/h7-10H,5-6,11-14H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196499
(2,9-Bis-(2-piperidin-1-yl-ethyl)-1,2,3,8,9,10-hexa...)Show SMILES C(CN1Cc2ccc3c4ccc5CN(CCN6CCCCC6)Cc6ccc(c7ccc(C1)c2c37)c4c56)N1CCCCC1 Show InChI InChI=1S/C38H44N4/c1-3-15-39(16-4-1)19-21-41-23-27-7-11-31-33-13-9-29-25-42(22-20-40-17-5-2-6-18-40)26-30-10-14-34(38(33)36(29)30)32-12-8-28(24-41)35(27)37(31)32/h7-14H,1-6,15-26H2 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196504
(CHEMBL388102 | [2-(1,3-dioxo-1H,3H-benzo[de]isoqui...)Show InChI InChI=1S/C17H19N2O2/c1-19(2,3)11-10-18-16(20)13-8-4-6-12-7-5-9-14(15(12)13)17(18)21/h4-9H,10-11H2,1-3H3/q+1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196494
(CHEMBL225508 | {2-[7-(2-dimethylamino-ethyl)-3,6,7...)Show InChI InChI=1S/C22H32N4/c1-23(2)9-11-25-13-17-5-7-19-15-26(12-10-24(3)4)16-20-8-6-18(14-25)21(17)22(19)20/h5-8H,9-16H2,1-4H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196502
(2,7-dimethyl-1,2,3,6,7,8-hexahydro-benzo[lmn][3,8]...)Show InChI InChI=1S/C16H18N2/c1-17-7-11-3-5-13-9-18(2)10-14-6-4-12(8-17)15(11)16(13)14/h3-6H,7-10H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50024717
(2-(2-Dimethylamino-ethyl)-benzo[de]isoquinoline-1,...)Show InChI InChI=1S/C16H16N2O2/c1-17(2)9-10-18-15(19)12-7-3-5-11-6-4-8-13(14(11)12)16(18)20/h3-8H,9-10H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |
DNA polymerase I, thermostable
(Thermus aquaticus) | BDBM50196497
(CHEMBL225208 | [2-(1H,3H-benzo[de]isoquinolin-2-yl...)Show InChI InChI=1S/C16H20N2/c1-17(2)9-10-18-11-14-7-3-5-13-6-4-8-15(12-18)16(13)14/h3-8H,9-12H2,1-2H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >4.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Padova
Curated by ChEMBL
| Assay Description Inhibition of Taq polymerase |
Bioorg Med Chem 15: 555-62 (2006)
Article DOI: 10.1016/j.bmc.2006.09.029 BindingDB Entry DOI: 10.7270/Q2QC033H |
More data for this Ligand-Target Pair | |