Found 13 hits with Last Name = 'shi' and Initial = 'df' 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)) | BDBM50107617
(5-(1-Methyl-3-pyridyl)-10,15,20-tri(1-methyl-3-qui...)Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc([nH]2)c(-c2c[n+](C)c3ccccc3c2)c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc1[nH]2 Show InChI InChI=1S/C56H44N8/c1-61-27-11-15-38(31-61)53-42-19-21-44(57-42)54(39-28-35-12-5-8-16-50(35)62(2)32-39)46-23-25-48(59-46)56(41-30-37-14-7-10-18-52(37)64(4)34-41)49-26-24-47(60-49)55(45-22-20-43(53)58-45)40-29-36-13-6-9-17-51(36)63(3)33-40/h5-34,57,60H,1-4H3/q+4/b53-42-,53-43-,54-44-,54-46-,55-45-,55-47-,56-48-,56-49- | 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+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by mixed mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107609
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2 Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107609
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2 Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107609
(5,10,15,20-tetra(1-methyl-4-pyridyl)-porphyrin | C...)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2 Show InChI InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107614
(5,10,15,20-tetra[5-(2-furfuryl)-N-methyl-3-pyridyl...)Show SMILES C[n+]1cc(cc(c1)-c1c2ccc(n2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc([nH]2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc([nH]2)c(-c2cc(c[n+](C)c2)-c2ccco2)c2ccc1n2)-c1ccco1 Show InChI InChI=1S/C60H46N8O4/c1-65-29-37(53-9-5-21-69-53)25-41(33-65)57-45-13-15-47(61-45)58(42-26-38(30-66(2)34-42)54-10-6-22-70-54)49-17-19-51(63-49)60(44-28-40(32-68(4)36-44)56-12-8-24-72-56)52-20-18-50(64-52)59(48-16-14-46(57)62-48)43-27-39(31-67(3)35-43)55-11-7-23-71-55/h5-36,61-62H,1-4H3/q+4/b57-45-,57-46-,58-47-,58-49-,59-48-,59-50-,60-51-,60-52- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by primer mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107611
(5,15-Di(1-Methyl-3-pyridyl)-10,20-di(1-methyl-3-qu...)Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2c[n+](C)c3ccccc3c2)c2ccc(n2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2c[n+](C)c3ccccc3c2)c2ccc1[nH]2 Show InChI InChI=1S/C52H42N8/c1-57-25-9-13-35(29-57)49-39-17-21-43(53-39)51(37-27-33-11-5-7-15-47(33)59(3)31-37)45-23-19-41(55-45)50(36-14-10-26-58(2)30-36)42-20-24-46(56-42)52(44-22-18-40(49)54-44)38-28-34-12-6-8-16-48(34)60(4)32-38/h5-32,53,55H,1-4H3/q+4/b49-39-,49-40-,50-41-,50-42-,51-43-,51-45-,52-44-,52-46- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by mixed mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50369960
(CHEMBL1204019)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)[N+]([O-])=O)c2ccc([nH]2)c(-c2cc[n+](C)cc2)c2ccc1n2 Show InChI InChI=1S/C44H34N8O2/c1-49-21-15-28(16-22-49)41-33-7-9-35(45-33)42(29-17-23-50(2)24-18-29)37-11-13-39(47-37)44(31-5-4-6-32(27-31)52(53)54)40-14-12-38(48-40)43(36-10-8-34(41)46-36)30-19-25-51(3)26-20-30/h4-27H,1-3H3,(H,45,46,47,48)/q+2/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50369963
(CHEMBL1202375)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2ccc(cc2)C(=O)NCCBr)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)C(=O)NCCBr)c2ccc1[nH]2 Show InChI InChI=1S/C50H40Br2N8O2/c1-59-26-18-32(19-27-59)46-39-12-10-37(55-39)45(31-6-8-34(9-7-31)49(61)53-24-22-51)38-11-13-40(56-38)47(33-20-28-60(2)29-21-33)42-15-17-44(58-42)48(43-16-14-41(46)57-43)35-4-3-5-36(30-35)50(62)54-25-23-52/h3-21,26-30H,22-25H2,1-2H3,(H2-,53,54,55,56,57,58,61,62)/p+2/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by mixed mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50369962
(CHEMBL1202377)Show SMILES CC[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](CC)cc2)c2ccc([nH]2)c(-c2cc[n+](CC)cc2)c2ccc([nH]2)c(-c2cc[n+](CC)cc2)c2ccc1n2 Show InChI InChI=1S/C48H45N8/c1-5-53-25-17-33(18-26-53)45-37-9-11-39(49-37)46(34-19-27-54(6-2)28-20-34)41-13-15-43(51-41)48(36-23-31-56(8-4)32-24-36)44-16-14-42(52-44)47(40-12-10-38(45)50-40)35-21-29-55(7-3)30-22-35/h9-32H,5-8H2,1-4H3,(H,49,50,51,52)/q+3/p+1/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107613
(5,10,15,20-tetra(1-methyl-3-pyridyl)-porphyrin chl...)Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc1n2 Show InChI InChI=1S/C44H38N8/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31/h5-28,45-46H,1-4H3/q+4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50369959
(CHEMBL1204020)Show SMILES C[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cccc(c2)[N+]([O-])=O)c2ccc(n2)c(-c2cc[n+](C)cc2)c2ccc([nH]2)c(-c2cccc(c2)[N+]([O-])=O)c2ccc1[nH]2 Show InChI InChI=1S/C44H31N8O4/c1-49-21-17-27(18-22-49)41-33-9-13-37(45-33)43(29-5-3-7-31(25-29)51(53)54)39-15-11-35(47-39)42(28-19-23-50(2)24-20-28)36-12-16-40(48-36)44(38-14-10-34(41)46-38)30-6-4-8-32(26-30)52(55)56/h3-26H,1-2H3,(H,45,46,47,48)/q+1/p+1/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50107613
(5,10,15,20-tetra(1-methyl-3-pyridyl)-porphyrin chl...)Show SMILES C[n+]1cccc(c1)-c1c2ccc(n2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc([nH]2)c(-c2ccc[n+](C)c2)c2ccc1n2 Show InChI InChI=1S/C44H38N8/c1-49-21-5-9-29(25-49)41-33-13-15-35(45-33)42(30-10-6-22-50(2)26-30)37-17-19-39(47-37)44(32-12-8-24-52(4)28-32)40-20-18-38(48-40)43(36-16-14-34(41)46-36)31-11-7-23-51(3)27-31/h5-28,45-46H,1-4H3/q+4/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by G-quadruplex mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
Telomerase reverse transcriptase
(Homo sapiens (Human)) | BDBM50369961
(CHEMBL1202373)Show SMILES OCC[n+]1ccc(cc1)-c1c2ccc(n2)c(-c2cc[n+](CCO)cc2)c2ccc([nH]2)c(-c2cc[n+](CCO)cc2)c2ccc([nH]2)c(-c2cc[n+](CCO)cc2)c2ccc1n2 Show InChI InChI=1S/C48H45N8O4/c57-29-25-53-17-9-33(10-18-53)45-37-1-2-38(49-37)46(34-11-19-54(20-12-34)26-30-58)40-5-6-42(51-40)48(36-15-23-56(24-16-36)28-32-60)44-8-7-43(52-44)47(41-4-3-39(45)50-41)35-13-21-55(22-14-35)27-31-59/h1-24,57-60H,25-32H2,(H,49,50,51,52)/q+3/p+1/b45-37-,45-39-,46-38-,46-40-,47-41-,47-43-,48-42-,48-44- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Texas at Austin
Curated by ChEMBL
| Assay Description
Apparent telomerase inhibition by mixed mechanism |
J Med Chem 44: 4509-23 (2001)
BindingDB Entry DOI: 10.7270/Q25Q4WVW |
More data for this
Ligand-Target Pair | |
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