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Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'pérez' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50275947
PNG
((5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...)
Show SMILES COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21
Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-
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420n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50275948
PNG
((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...)
Show SMILES COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O
Show InChI InChI=1S/C32H32O8/c1-31(2)20-14-37-21-12-17(36-6)8-10-19(21)22(20)24-26(33)29-25(27(34)28(24)39-31)23-18-9-7-16(35-5)11-15(18)13-38-30(23)32(3,4)40-29/h7-12,20,22-23,30H,13-14H2,1-6H3/t20-,22+,23-,30-/m1/s1
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510n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50275945
PNG
((1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,...)
Show SMILES C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O
Show InChI InChI=1S/C26H36O4/c1-13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-25(17,3)4)16-12-14(2)8-10-18(16)26(5,6)30-24/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17-,18-/m1/s1
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770n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50275949
PNG
((4R,13S,19R,28R)-7,9,22,24-tetrabromo-14,14,29,29-...)
Show SMILES CC1(C)OC2=C([C@@H]3[C@H]1COc1c(Br)cc(Br)cc31)C(=O)C1=C([C@@H]3[C@@H](OCc4c(Br)cc(Br)cc34)C(C)(C)O1)C2=O
Show InChI InChI=1S/C30H24Br4O6/c1-29(2)16-10-37-25-14(6-12(32)8-18(25)34)19(16)21-23(35)27-22(24(36)26(21)39-29)20-13-5-11(31)7-17(33)15(13)9-38-28(20)30(3,4)40-27/h5-8,16,19-20,28H,9-10H2,1-4H3/t16-,19+,20-,28-/m1/s1
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1.01E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50275946
PNG
((5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...)
Show SMILES COc1ccc2[C@@H]3[C@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21
Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20-,23+,24+/m0/s1
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1.04E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-Orgánica Antonio González

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry


J Med Chem 51: 7132-43 (2009)


Article DOI: 10.1021/jm800403b
BindingDB Entry DOI: 10.7270/Q2TB16R7
More data for this
Ligand-Target Pair
Catechol O-methyltransferase


(Sus scrofa)
BDBM50004044
PNG
(3-Hydroxy-4-methoxy-5-nitro-benzaldehyde | CHEMBL8...)
Show SMILES COc1c(O)cc(C=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-4,11H,1H3
MMDB

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1.35E+4n/an/an/an/an/an/an/an/a



Instituto de Química Orgánica General (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with variable AdoMet and saturating catechol as substrate (mixed inh...


J Med Chem 35: 4584-8 (1993)


Article DOI: 10.1021/jm00102a011
BindingDB Entry DOI: 10.7270/Q2X63KWW
More data for this
Ligand-Target Pair
Catechol O-methyltransferase


(Sus scrofa)
BDBM50004044
PNG
(3-Hydroxy-4-methoxy-5-nitro-benzaldehyde | CHEMBL8...)
Show SMILES COc1c(O)cc(C=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)2-5(4-10)3-7(8)11/h2-4,11H,1H3
MMDB

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1.72E+4n/an/an/an/an/an/an/an/a



Instituto de Química Orgánica General (CSIC)

Curated by ChEMBL


Assay Description
Compound was evaluated for reversible inhibition of Catechol O-methyltransferase with saturating AdoMet and variable catechol as substrate (noncompet...


J Med Chem 35: 4584-8 (1993)


Article DOI: 10.1021/jm00102a011
BindingDB Entry DOI: 10.7270/Q2X63KWW
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50310892
PNG
(CHEMBL1078511 | N,N'-(9-(2-(1-methylpyrrolidin-2-y...)
Show SMILES CN1CCCC1CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C34H47N7O2/c1-39-16-6-7-27(39)12-15-35-34-28-10-8-25(36-32(42)13-21-40-17-2-3-18-40)23-30(28)38-31-24-26(9-11-29(31)34)37-33(43)14-22-41-19-4-5-20-41/h8-11,23-24,27H,2-7,12-22H2,1H3,(H,35,38)(H,36,42)(H,37,43)
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n/an/a 18n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134027
PNG
(CHEMBL140180 | N,N'-(9-(2-(dimethylamino)ethylamin...)
Show SMILES CN(C)CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C31H43N7O2/c1-36(2)20-13-32-31-25-9-7-23(33-29(39)11-18-37-14-3-4-15-37)21-27(25)35-28-22-24(8-10-26(28)31)34-30(40)12-19-38-16-5-6-17-38/h7-10,21-22H,3-6,11-20H2,1-2H3,(H,32,35)(H,33,39)(H,34,40)
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n/an/a 18n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134010
PNG
(CHEMBL139511 | N,N'-(9-(2-aminophenylamino)acridin...)
Show SMILES Nc1ccccc1Nc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C33H39N7O2/c34-27-7-1-2-8-28(27)38-33-25-11-9-23(35-31(41)13-19-39-15-3-4-16-39)21-29(25)37-30-22-24(10-12-26(30)33)36-32(42)14-20-40-17-5-6-18-40/h1-2,7-12,21-22H,3-6,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 20n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134022
PNG
(CHEMBL336444 | N,N'-(9-(4-acetylphenylamino)acridi...)
Show SMILES CC(=O)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C35H40N6O3/c1-24(42)25-6-8-26(9-7-25)38-35-29-12-10-27(36-33(43)14-20-40-16-2-3-17-40)22-31(29)39-32-23-28(11-13-30(32)35)37-34(44)15-21-41-18-4-5-19-41/h6-13,22-23H,2-5,14-21H2,1H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 40n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134002
PNG
(CHEMBL141540 | N,N'-(9-(2-(piperidin-1-yl)ethylami...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NCCN3CCCCC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C34H47N7O2/c42-32(12-21-39-17-4-5-18-39)36-26-8-10-28-30(24-26)38-31-25-27(37-33(43)13-22-40-19-6-7-20-40)9-11-29(31)34(28)35-14-23-41-15-2-1-3-16-41/h8-11,24-25H,1-7,12-23H2,(H,35,38)(H,36,42)(H,37,43)
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n/an/a 50n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134032
PNG
(CHEMBL138811 | N,N'-(9-(cyclopropylamino)acridine-...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C30H38N6O2/c37-28(11-17-35-13-1-2-14-35)31-22-7-9-24-26(19-22)34-27-20-23(8-10-25(27)30(24)33-21-5-6-21)32-29(38)12-18-36-15-3-4-16-36/h7-10,19-21H,1-6,11-18H2,(H,31,37)(H,32,38)(H,33,34)
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n/an/a 50n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134019
PNG
(CHEMBL336417 | N,N'-(9-(3-aminophenylamino)acridin...)
Show SMILES Nc1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)c1
Show InChI InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-10-8-25(35-31(41)12-18-39-14-1-2-15-39)21-29(27)38-30-22-26(9-11-28(30)33)36-32(42)13-19-40-16-3-4-17-40/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 60n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134009
PNG
(CHEMBL335132 | N,N'-(9-(3-(dimethylamino)propylami...)
Show SMILES CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-24(34-30(40)12-20-38-16-3-4-17-38)22-28(26)36-29-23-25(9-11-27(29)32)35-31(41)13-21-39-18-5-6-19-39/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
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n/an/a 60n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134025
PNG
(CHEMBL343795 | N,N'-(9-(4-fluorophenylamino)acridi...)
Show SMILES Fc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C33H37FN6O2/c34-23-5-7-24(8-6-23)37-33-27-11-9-25(35-31(41)13-19-39-15-1-2-16-39)21-29(27)38-30-22-26(10-12-28(30)33)36-32(42)14-20-40-17-3-4-18-40/h5-12,21-22H,1-4,13-20H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 70n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134018
PNG
(CHEMBL335819 | N,N'-(9-(4-aminophenylamino)acridin...)
Show SMILES Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C33H39N7O2/c34-23-5-7-24(8-6-23)37-33-27-11-9-25(35-31(41)13-19-39-15-1-2-16-39)21-29(27)38-30-22-26(10-12-28(30)33)36-32(42)14-20-40-17-3-4-18-40/h5-12,21-22H,1-4,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 74n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50150618
PNG
(CHEMBL182871 | Hexanedioic acid {4-[3,6-bis-(3-pyr...)
Show SMILES CCN(CC)CCCCCCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C49H69N9O4/c1-3-56(4-2)28-10-6-5-9-27-50-45(59)15-7-8-16-46(60)51-37-17-19-38(20-18-37)54-49-41-23-21-39(52-47(61)25-33-57-29-11-12-30-57)35-43(41)55-44-36-40(22-24-42(44)49)53-48(62)26-34-58-31-13-14-32-58/h17-24,35-36H,3-16,25-34H2,1-2H3,(H,50,59)(H,51,60)(H,52,61)(H,53,62)(H,54,55)
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n/an/a 80n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134023
PNG
(CHEMBL337762 | N,N'-(9-(4-aminophenylamino)acridin...)
Show SMILES Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
Show InChI InChI=1S/C33H39N7O2/c34-23-5-7-24(8-6-23)37-33-27-11-9-26(36-32(42)14-20-40-17-3-4-18-40)22-30(27)38-29-12-10-25(21-28(29)33)35-31(41)13-19-39-15-1-2-16-39/h5-12,21-22H,1-4,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 80n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134008
PNG
(CHEMBL138187 | N,N'-(9-(3-(dimethylamino)propylami...)
Show SMILES CN(C)CCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C32H45N7O2/c1-37(2)15-7-14-33-32-26-10-8-25(35-31(41)13-21-39-18-5-6-19-39)23-29(26)36-28-11-9-24(22-27(28)32)34-30(40)12-20-38-16-3-4-17-38/h8-11,22-23H,3-7,12-21H2,1-2H3,(H,33,36)(H,34,40)(H,35,41)
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n/an/a 80n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134000
PNG
(CHEMBL139287 | N,N'-(9-(cyclohexylamino)acridine-3...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CCCCC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C33H44N6O2/c40-31(14-20-38-16-4-5-17-38)34-25-10-12-27-29(22-25)37-30-23-26(35-32(41)15-21-39-18-6-7-19-39)11-13-28(30)33(27)36-24-8-2-1-3-9-24/h10-13,22-24H,1-9,14-21H2,(H,34,40)(H,35,41)(H,36,37)
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n/an/a 90n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50150622
PNG
(CHEMBL184587 | Hexanedioic acid {4-[3,6-bis-(3-pyr...)
Show SMILES CCN(CC)CCNC(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C45H61N9O4/c1-3-52(4-2)30-23-46-41(55)11-5-6-12-42(56)47-33-13-15-34(16-14-33)50-45-37-19-17-35(48-43(57)21-28-53-24-7-8-25-53)31-39(37)51-40-32-36(18-20-38(40)45)49-44(58)22-29-54-26-9-10-27-54/h13-20,31-32H,3-12,21-30H2,1-2H3,(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,51)
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n/an/a 98n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134030
PNG
(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)
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n/an/a 100n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134026
PNG
(CHEMBL138487 | N,N'-(9-(3-(dimethylamino)phenylami...)
Show SMILES CN(C)c1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)c1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-9-7-8-25(22-28)38-35-29-12-10-26(36-33(43)14-20-41-16-3-4-17-41)23-31(29)39-32-24-27(11-13-30(32)35)37-34(44)15-21-42-18-5-6-19-42/h7-13,22-24H,3-6,14-21H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 100n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134020
PNG
(CHEMBL141661 | N,N'-(9-(3-acetamidophenylamino)acr...)
Show SMILES CC(=O)Nc1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)c1
Show InChI InChI=1S/C35H41N7O3/c1-24(43)36-25-7-6-8-26(21-25)39-35-29-11-9-27(37-33(44)13-19-41-15-2-3-16-41)22-31(29)40-32-23-28(10-12-30(32)35)38-34(45)14-20-42-17-4-5-18-42/h6-12,21-23H,2-5,13-20H2,1H3,(H,36,43)(H,37,44)(H,38,45)(H,39,40)
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n/an/a 100n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134021
PNG
(CHEMBL138761 | N,N'-(9-(3-(methylthio)phenylamino)...)
Show SMILES CSc1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)c1
Show InChI InChI=1S/C34H40N6O2S/c1-43-27-8-6-7-24(21-27)37-34-28-11-9-25(35-32(41)13-19-39-15-2-3-16-39)22-30(28)38-31-23-26(10-12-29(31)34)36-33(42)14-20-40-17-4-5-18-40/h6-12,21-23H,2-5,13-20H2,1H3,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 100n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134011
PNG
(CHEMBL343609 | N,N'-(9-(2-aminophenylamino)acridin...)
Show SMILES Nc1ccccc1Nc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C33H39N7O2/c34-27-7-1-2-8-29(27)38-33-25-11-9-24(36-32(42)14-20-40-17-5-6-18-40)22-30(25)37-28-12-10-23(21-26(28)33)35-31(41)13-19-39-15-3-4-16-39/h1-2,7-12,21-22H,3-6,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 110n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134006
PNG
(CHEMBL335564 | N,N'-(9-(2-methoxyethylamino)acridi...)
Show SMILES COCCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C30H40N6O3/c1-39-19-12-31-30-24-8-6-22(32-28(37)10-17-35-13-2-3-14-35)20-26(24)34-27-21-23(7-9-25(27)30)33-29(38)11-18-36-15-4-5-16-36/h6-9,20-21H,2-5,10-19H2,1H3,(H,31,34)(H,32,37)(H,33,38)
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n/an/a 140n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50133998
PNG
(CHEMBL137809 | N,N'-(9-(2-(methylthio)phenylamino)...)
Show SMILES CSc1ccccc1Nc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2cc(NC(=O)CCN3CCCC3)ccc12
Show InChI InChI=1S/C34H40N6O2S/c1-43-31-9-3-2-8-28(31)38-34-26-12-10-24(35-32(41)14-20-39-16-4-5-17-39)22-29(26)37-30-23-25(11-13-27(30)34)36-33(42)15-21-40-18-6-7-19-40/h2-3,8-13,22-23H,4-7,14-21H2,1H3,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 150n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50133999
PNG
(CHEMBL345035 | N,N'-(9-(2-aminophenylamino)acridin...)
Show SMILES Nc1ccccc1Nc1c2cc(NC(=O)CCN3CCCC3)ccc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C33H39N7O2/c34-27-7-1-2-8-30(27)38-33-25-21-23(35-31(41)13-19-39-15-3-4-16-39)9-11-28(25)37-29-12-10-24(22-26(29)33)36-32(42)14-20-40-17-5-6-18-40/h1-2,7-12,21-22H,3-6,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 170n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134017
PNG
(CHEMBL138357 | N,N'-(9-(4-(dimethylamino)phenylami...)
Show SMILES CN(C)c1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-27(37-34(44)16-22-42-19-5-6-20-42)24-32(29)39-31-14-10-26(23-30(31)35)36-33(43)15-21-41-17-3-4-18-41/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 170n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50310879
PNG
(CHEMBL1077669 | N,N'-(9-oxo-9,9a-dihydroacridine-2...)
Show SMILES OCCC1CCCCN1CCC(=O)Nc1ccc2c(O)c3cc(NC(=O)CCN4CCCCC4CCO)ccc3nc2c1
Show InChI InChI=1S/C33H45N5O5/c39-19-13-25-5-1-3-15-37(25)17-11-31(41)34-23-8-10-29-28(21-23)33(43)27-9-7-24(22-30(27)36-29)35-32(42)12-18-38-16-4-2-6-26(38)14-20-40/h7-10,21-22,25-26,39-40H,1-6,11-20H2,(H,34,41)(H,35,42)(H,36,43)
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n/an/a 200n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50155661
PNG
(3-(4-Methyl-piperidin-1-yl)-N-{6-[3-(4-methyl-pipe...)
Show SMILES CC1CCN(CCC(=O)Nc2ccc3c(O)c4cc(NC(=O)CCN5CCC(C)CC5)ccc4nc3c2)CC1
Show InChI InChI=1S/C31H41N5O3/c1-21-7-13-35(14-8-21)17-11-29(37)32-23-4-6-27-26(19-23)31(39)25-5-3-24(20-28(25)34-27)33-30(38)12-18-36-15-9-22(2)10-16-36/h3-6,19-22H,7-18H2,1-2H3,(H,32,37)(H,33,38)(H,34,39)
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n/an/a 200n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134028
PNG
(CHEMBL142036 | N,N'-(9-(4-aminophenylamino)acridin...)
Show SMILES Nc1ccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
Show InChI InChI=1S/C33H39N7O2/c34-23-5-7-24(8-6-23)37-33-27-21-25(35-31(41)13-19-39-15-1-2-16-39)9-11-29(27)38-30-12-10-26(22-28(30)33)36-32(42)14-20-40-17-3-4-18-40/h5-12,21-22H,1-4,13-20,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 200n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50155646
PNG
(3-(4-Hydroxy-piperidin-1-yl)-N-{6-[3-(4-hydroxy-pi...)
Show SMILES OC1CCN(CCC(=O)Nc2ccc3c(O)c4cc(NC(=O)CCN5CCC(O)CC5)ccc4nc3c2)CC1
Show InChI InChI=1S/C29H37N5O5/c35-21-5-11-33(12-6-21)15-9-27(37)30-19-2-4-25-24(17-19)29(39)23-3-1-20(18-26(23)32-25)31-28(38)10-16-34-13-7-22(36)8-14-34/h1-4,17-18,21-22,35-36H,5-16H2,(H,30,37)(H,31,38)(H,32,39)
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n/an/a 200n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134012
PNG
(CHEMBL342480 | N,N'-(9-(3-aminophenylamino)acridin...)
Show SMILES Nc1cccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Show InChI InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-10-8-26(36-32(42)13-19-40-16-3-4-17-40)22-30(27)38-29-11-9-25(21-28(29)33)35-31(41)12-18-39-14-1-2-15-39/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 210n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134031
PNG
(CHEMBL137973 | N,N'-(9-(cyclohexylamino)acridine-2...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CCCCC3)c3cc(NC(=O)CCN4CCCC4)ccc3nc2c1
Show InChI InChI=1S/C33H44N6O2/c40-31(14-20-38-16-4-5-17-38)34-25-11-13-29-28(22-25)33(36-24-8-2-1-3-9-24)27-12-10-26(23-30(27)37-29)35-32(41)15-21-39-18-6-7-19-39/h10-13,22-24H,1-9,14-21H2,(H,34,40)(H,35,41)(H,36,37)
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n/an/a 210n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50310884
PNG
(CHEMBL1078502 | N,N'-(9-(cycloheptylamino)acridine...)
Show SMILES O=C(CCN1CCCC1)Nc1ccc2c(NC3CCCCCC3)c3ccc(NC(=O)CCN4CCCC4)cc3nc2c1
Show InChI InChI=1S/C34H46N6O2/c41-32(15-21-39-17-5-6-18-39)35-26-11-13-28-30(23-26)38-31-24-27(36-33(42)16-22-40-19-7-8-20-40)12-14-29(31)34(28)37-25-9-3-1-2-4-10-25/h11-14,23-25H,1-10,15-22H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 210n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50310886
PNG
(1-(6-(4-(3,6-bis(3-(pyrrolidin-1-yl)propanamido)ac...)
Show SMILES [O-][N+]1(CCCCC1)C(=O)CCCCC(=O)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C44H56N8O5/c53-40(10-2-3-11-43(56)52(57)28-8-1-9-29-52)45-32-12-14-33(15-13-32)48-44-36-18-16-34(46-41(54)20-26-50-22-4-5-23-50)30-38(36)49-39-31-35(17-19-37(39)44)47-42(55)21-27-51-24-6-7-25-51/h12-19,30-31H,1-11,20-29H2,(H,45,53)(H,46,54)(H,47,55)(H,48,49)
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n/an/a 267n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134001
PNG
(CHEMBL140084 | N,N'-(9-(2-(dimethylamino)ethylamin...)
Show SMILES CN(C)CCNc1c2ccc(NC(=O)CCN3CCCC3)cc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C31H43N7O2/c1-36(2)20-13-32-31-25-9-7-24(34-30(40)12-19-38-16-5-6-17-38)22-28(25)35-27-10-8-23(21-26(27)31)33-29(39)11-18-37-14-3-4-15-37/h7-10,21-22H,3-6,11-20H2,1-2H3,(H,32,35)(H,33,39)(H,34,40)
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n/an/a 270n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50150621
PNG
(6-Oxo-6-pyrrolidin-1-yl-hexanoic acid {4-[3,6-bis-...)
Show SMILES O=C(CCCCC(=O)N1CCCC1)Nc1ccc(Nc2c3ccc(NC(=O)CCN4CCCC4)cc3nc3cc(NC(=O)CCN4CCCC4)ccc23)cc1
Show InChI InChI=1S/C43H54N8O4/c52-39(9-1-2-10-42(55)51-25-7-8-26-51)44-31-11-13-32(14-12-31)47-43-35-17-15-33(45-40(53)19-27-49-21-3-4-22-49)29-37(35)48-38-30-34(16-18-36(38)43)46-41(54)20-28-50-23-5-6-24-50/h11-18,29-30H,1-10,19-28H2,(H,44,52)(H,45,53)(H,46,54)(H,47,48)
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n/an/a 318n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50155667
PNG
(CHEMBL1077951 | CHEMBL186019 | N-[9-Oxo-6-(3-piper...)
Show SMILES Oc1c2ccc(NC(=O)CCN3CCCCC3)cc2nc2ccc(NC(=O)CCN3CCCCC3)cc12
Show InChI InChI=1S/C29H37N5O3/c35-27(11-17-33-13-3-1-4-14-33)30-21-8-10-25-24(19-21)29(37)23-9-7-22(20-26(23)32-25)31-28(36)12-18-34-15-5-2-6-16-34/h7-10,19-20H,1-6,11-18H2,(H,30,35)(H,31,36)(H,32,37)
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n/an/a 400n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134003
PNG
(CHEMBL141740 | N,N'-(9-(4-methoxyphenylamino)acrid...)
Show SMILES COc1ccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
Show InChI InChI=1S/C34H40N6O3/c1-43-27-10-6-24(7-11-27)37-34-28-22-25(35-32(41)14-20-39-16-2-3-17-39)8-12-30(28)38-31-13-9-26(23-29(31)34)36-33(42)15-21-40-18-4-5-19-40/h6-13,22-23H,2-5,14-21H2,1H3,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 460n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134013
PNG
(CHEMBL341985 | N,N'-(9-(4-(dimethylamino)phenylami...)
Show SMILES CN(C)c1ccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)cc1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-23-26(36-33(43)15-21-41-17-3-4-18-41)9-13-31(29)39-32-14-10-27(24-30(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)
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n/an/a 500n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134005
PNG
(CHEMBL137928 | N,N'-(9-(2-(dimethylamino)ethylamin...)
Show SMILES CN(C)CCNc1c2cc(NC(=O)CCN3CCCC3)ccc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C31H43N7O2/c1-36(2)20-13-32-31-25-21-23(33-29(39)11-18-37-14-3-4-15-37)7-9-27(25)35-28-10-8-24(22-26(28)31)34-30(40)12-19-38-16-5-6-17-38/h7-10,21-22H,3-6,11-20H2,1-2H3,(H,32,35)(H,33,39)(H,34,40)
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n/an/a 570n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134033
PNG
(CHEMBL139443 | N,N'-(9-(3-(dimethylamino)phenylami...)
Show SMILES CN(C)c1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Show InChI InChI=1S/C35H43N7O2/c1-40(2)28-9-7-8-25(22-28)38-35-29-23-26(36-33(43)14-20-41-16-3-4-17-41)10-12-31(29)39-32-13-11-27(24-30(32)35)37-34(44)15-21-42-18-5-6-19-42/h7-13,22-24H,3-6,14-21H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
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n/an/a 600n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50155645
PNG
(3-Dimethylamino-N-[7-(3-dimethylamino-propionylami...)
Show SMILES CN(C)CCC(=O)Nc1ccc2nc3ccc(NC(=O)CCN(C)C)cc3c(O)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-27(2)11-9-21(29)24-15-5-7-19-17(13-15)23(31)18-14-16(6-8-20(18)26-19)25-22(30)10-12-28(3)4/h5-8,13-14H,9-12H2,1-4H3,(H,24,29)(H,25,30)(H,26,31)
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n/an/a 600n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50155655
PNG
(3-Diethylamino-N-[6-(3-diethylamino-propionylamino...)
Show SMILES CCN(CC)CCC(=O)Nc1ccc2c(O)c3cc(NC(=O)CCN(CC)CC)ccc3nc2c1
Show InChI InChI=1S/C27H37N5O3/c1-5-31(6-2)15-13-25(33)28-19-10-12-23-22(17-19)27(35)21-11-9-20(18-24(21)30-23)29-26(34)14-16-32(7-3)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3,(H,28,33)(H,29,34)(H,30,35)
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n/an/a 700n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134014
PNG
(CHEMBL343041 | N,N'-(9-(2-hydroxyphenylamino)acrid...)
Show SMILES Oc1ccccc1Nc1c2cc(NC(=O)CCN3CCCC3)ccc2nc2ccc(NC(=O)CCN3CCCC3)cc12
Show InChI InChI=1S/C33H38N6O3/c40-30-8-2-1-7-29(30)37-33-25-21-23(34-31(41)13-19-38-15-3-4-16-38)9-11-27(25)36-28-12-10-24(22-26(28)33)35-32(42)14-20-39-17-5-6-18-39/h1-2,7-12,21-22,40H,3-6,13-20H2,(H,34,41)(H,35,42)(H,36,37)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50134024
PNG
(CHEMBL139500 | N,N'-(9-(3-aminophenylamino)acridin...)
Show SMILES Nc1cccc(Nc2c3cc(NC(=O)CCN4CCCC4)ccc3nc3ccc(NC(=O)CCN4CCCC4)cc23)c1
Show InChI InChI=1S/C33H39N7O2/c34-23-6-5-7-24(20-23)37-33-27-21-25(35-31(41)12-18-39-14-1-2-15-39)8-10-29(27)38-30-11-9-26(22-28(30)33)36-32(42)13-19-40-16-3-4-17-40/h5-11,20-22H,1-4,12-19,34H2,(H,35,41)(H,36,42)(H,37,38)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Central University of Las Villas

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human A2780 cells by TRAP assay


Eur J Med Chem 44: 4826-40 (2009)


Article DOI: 10.1016/j.ejmech.2009.07.029
BindingDB Entry DOI: 10.7270/Q20R9PHM
More data for this
Ligand-Target Pair
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