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Compile Data Set for Download or QSAR

Found 72 hits with Last Name = 'kimura' and Initial = 'j'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50003299
PNG
(CHEMBL469919)
Show SMILES [Na+].CC1(C)CCC[C@H]2[C@H]1CC[C@@]1(C)[C@@H]2CC\C(=C/OS([O-])(=O)=O)[C@@H]1CCc1ccoc1
Show InChI InChI=1/C24H36O5S.Na/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);/q;+1/p-1/b18-16+;/t19-,20-,21+,22+,24+;/s2
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n/an/a 9n/an/an/an/an/an/a



Aoyama Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 248-50 (1998)


Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50003297
PNG
(CHEMBL474265)
Show SMILES C[N+](C)=C(N)N.CC1(C)CCC[C@H]2[C@H]1CC[C@@]1(C)[C@@H]2CC\C(=C/OS([O-])(=O)=O)[C@@H]1CCc1ccoc1
Show InChI InChI=1/C24H36O5S.C3H9N3/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-6(2)3(4)5/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);1-2H3,(H3,4,5)/b18-16+;/t19-,20-,21+,22+,24+;/s2
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n/an/a 25n/an/an/an/an/an/a



Aoyama Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 248-50 (1998)


Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50003300
PNG
(CHEMBL444779)
Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.CC1(C)CCC[C@H]2[C@H]1CC[C@@]1(C)[C@@H]2CC\C(=C/OS([O-])(=O)=O)[C@@H]1CCc1ccoc1
Show InChI InChI=1/C24H36O5S.C8H13N5O/c1-23(2)12-4-5-19-21(23)10-13-24(3)20(8-6-17-11-14-28-15-17)18(7-9-22(19)24)16-29-30(25,26)27;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h11,14-16,19-22H,4-10,12-13H2,1-3H3,(H,25,26,27);4,8H,9H2,1-3H3/b18-16+;/t19-,20-,21+,22+,24+;/s2
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n/an/a 27n/an/an/an/an/an/a



Aoyama Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 248-50 (1998)


Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50003298
PNG
(HALISULPHATESODIUM | halisulphatesodium)
Show SMILES [Na+].C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@@H]1CCC[C@H]2C(C)(C)CCC[C@@]12C)OS([O-])(=O)=O
Show InChI InChI=1/C30H48O6S.Na/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);/q;+1/p-1/b21-13+;/t22-,24+,27-,28+,30+;/s2
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n/an/a 35n/an/an/an/an/an/a



Aoyama Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 248-50 (1998)


Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50003296
PNG
(CHEMBL507385 | halisulphate1-methylherbipoline)
Show SMILES CN1C(N)Nc2c(C1=O)n(C)c[n+]2C.C[C@H](CCC\C(C)=C\Cc1cc(O)ccc1O)[C@@H](C[C@@H]1CCC[C@H]2C(C)(C)CCC[C@@]12C)OS([O-])(=O)=O
Show InChI InChI=1/C30H48O6S.C8H13N5O/c1-21(13-14-23-19-25(31)15-16-26(23)32)9-6-10-22(2)27(36-37(33,34)35)20-24-11-7-12-28-29(3,4)17-8-18-30(24,28)5;1-11-4-12(2)6-5(11)7(14)13(3)8(9)10-6/h13,15-16,19,22,24,27-28,31-32H,6-12,14,17-18,20H2,1-5H3,(H,33,34,35);4,8H,9H2,1-3H3/b21-13+;/t22-,24+,27-,28+,30+;/s2
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n/an/a>100n/an/an/an/an/an/a



Aoyama Gakuin University

Curated by ChEMBL


Assay Description
Inhibition of thrombin


J Nat Prod 61: 248-50 (1998)


Article DOI: 10.1021/np970376z
BindingDB Entry DOI: 10.7270/Q2P55Q04
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104486
PNG
(CHEMBL432562 | [(S)-1-[(S)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C45H59ClN5O8P/c1-45(2,3)58-44(54)51-40(30-34-28-32-20-12-15-23-37(32)49-34)43(53)50-39(29-33-31-48-38-24-16-13-21-35(33)38)42(52)47-26-18-10-8-6-4-5-7-9-11-19-27-57-60(55,56)59-41-25-17-14-22-36(41)46/h12-17,20-25,28,31,39-40,48-49H,4-11,18-19,26-27,29-30H2,1-3H3,(H,47,52)(H,50,53)(H,51,54)(H,55,56)/t39-,40-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097316
PNG
(CHEMBL351995 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1cccc(Cl)c1
Show InChI InChI=1/C38H46Cl2N3O5P/c39-32-14-13-15-34(28-32)48-49(45,46)47-25-12-8-6-4-2-1-3-5-7-11-21-41-38(44)27-31-29-43(37-17-10-9-16-35(31)37)24-23-42-22-20-30-26-33(40)18-19-36(30)42/h9-10,13-20,22,26,28-29H,1-8,11-12,21,23-25,27H2,(H,41,44)(H,45,46)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097324
PNG
(CHEMBL413033 | Phosphoric acid 3-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(O)(=O)Oc3cccc(Cl)c3)c3ccccc23)c2ccccc12
Show InChI InChI=1/C40H51ClN3O5P/c1-32-30-43(38-22-12-10-20-36(32)38)25-17-26-44-31-33(37-21-11-13-23-39(37)44)28-40(45)42-24-14-8-6-4-2-3-5-7-9-15-27-48-50(46,47)49-35-19-16-18-34(41)29-35/h10-13,16,18-23,29-31H,2-9,14-15,17,24-28H2,1H3,(H,42,45)(H,46,47)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of human geranylgeranyltransferase-I


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104490
PNG
(CHEMBL314864 | [(R)-1-{12-[(2-Chloro-phenoxy)-hydr...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C37H47ClN3O7P/c38-32-21-13-15-23-35(32)48-49(44,45)47-25-17-8-6-4-2-1-3-5-7-16-24-39-36(42)34(26-30-27-40-33-22-14-12-20-31(30)33)41-37(43)46-28-29-18-10-9-11-19-29/h9-15,18-23,27,34,40H,1-8,16-17,24-26,28H2,(H,39,42)(H,41,43)(H,44,45)/t34-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104475
PNG
(CHEMBL83388 | Phosphoric acid 2-chloro-phenyl este...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1/C40H51ClN3O5P/c1-32-30-43(37-22-13-10-19-34(32)37)26-18-27-44-31-33(35-20-11-14-23-38(35)44)29-40(45)42-25-16-8-6-4-2-3-5-7-9-17-28-48-50(46,47)49-39-24-15-12-21-36(39)41/h10-15,19-24,30-31H,2-9,16-18,25-29H2,1H3,(H,42,45)(H,46,47)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097326
PNG
((2-Chloro-phenyl)-phosphonic acid mono-(11-{2-[1-(...)
Show SMILES OP(=O)(OCCCCCCCCCCCNC(=O)Cc1cn(CCCn2cccc2)c2ccccc12)c1ccccc1Cl
Show InChI InChI=1/C34H45ClN3O4P/c35-31-18-9-11-20-33(31)43(40,41)42-26-15-7-5-3-1-2-4-6-12-21-36-34(39)27-29-28-38(32-19-10-8-17-30(29)32)25-16-24-37-22-13-14-23-37/h8-11,13-14,17-20,22-23,28H,1-7,12,15-16,21,24-27H2,(H,36,39)(H,40,41)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104495
PNG
((R)-4-tert-Butoxycarbonylamino-4-[(R)-1-{12-[(2-ch...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C46H62ClN4O10P/c1-46(2,3)60-45(55)51-39(27-28-42(52)58-33-34-21-13-12-14-22-34)44(54)50-40(31-35-32-49-38-25-17-15-23-36(35)38)43(53)48-29-19-10-8-6-4-5-7-9-11-20-30-59-62(56,57)61-41-26-18-16-24-37(41)47/h12-18,21-26,32,39-40,49H,4-11,19-20,27-31,33H2,1-3H3,(H,48,53)(H,50,54)(H,51,55)(H,56,57)/t39-,40-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097318
PNG
(CHEMBL155030 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1ccccc1
Show InChI InChI=1/C38H47ClN3O5P/c39-33-20-21-36-31(28-33)22-24-41(36)25-26-42-30-32(35-18-12-13-19-37(35)42)29-38(43)40-23-14-7-5-3-1-2-4-6-8-15-27-46-48(44,45)47-34-16-10-9-11-17-34/h9-13,16-22,24,28,30H,1-8,14-15,23,25-27,29H2,(H,40,43)(H,44,45)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to ATP


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104466
PNG
(CHEMBL314040 | {(R)-1-[(R)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C43H58ClN4O8P/c1-43(2,3)55-42(51)48-37(29-32-21-13-12-14-22-32)41(50)47-38(30-33-31-46-36-25-17-15-23-34(33)36)40(49)45-27-19-10-8-6-4-5-7-9-11-20-28-54-57(52,53)56-39-26-18-16-24-35(39)44/h12-18,21-26,31,37-38,46H,4-11,19-20,27-30H2,1-3H3,(H,45,49)(H,47,50)(H,48,51)(H,52,53)/t37-,38-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104484
PNG
(CHEMBL314057 | Phosphoric acid 12-[(R)-2-benzoylam...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C36H45ClN3O6P/c37-31-21-13-15-23-34(31)46-47(43,44)45-25-17-8-6-4-2-1-3-5-7-16-24-38-36(42)33(40-35(41)28-18-10-9-11-19-28)26-29-27-39-32-22-14-12-20-30(29)32/h9-15,18-23,27,33,39H,1-8,16-17,24-26H2,(H,38,42)(H,40,41)(H,43,44)/t33-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097327
PNG
(CHEMBL345715 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)OC1CCCCC1
Show InChI InChI=1/C38H53ClN3O5P/c39-33-20-21-36-31(28-33)22-24-41(36)25-26-42-30-32(35-18-12-13-19-37(35)42)29-38(43)40-23-14-7-5-3-1-2-4-6-8-15-27-46-48(44,45)47-34-16-10-9-11-17-34/h12-13,18-22,24,28,30,34H,1-11,14-17,23,25-27,29H2,(H,40,43)(H,44,45)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104473
PNG
((R)-2-[(R)-1-{12-[(2-Chloro-phenoxy)-hydroxy-phosp...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C39H56ClN4O8P/c1-39(2,3)51-38(47)44-25-18-22-34(44)37(46)43-33(27-29-28-42-32-21-14-12-19-30(29)32)36(45)41-24-16-10-8-6-4-5-7-9-11-17-26-50-53(48,49)52-35-23-15-13-20-31(35)40/h12-15,19-21,23,28,33-34,42H,4-11,16-18,22,24-27H2,1-3H3,(H,41,45)(H,43,46)(H,48,49)/t33-,34-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104489
PNG
(CHEMBL313020 | Phosphoric acid 12-[(S)-2-[(R)-2-am...)
Show SMILES N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37+/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104464
PNG
(CHEMBL405650 | Phosphoric acid 12-[(S)-2-[(S)-2-am...)
Show SMILES N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104467
PNG
(CHEMBL437042 | {[(R)-1-{12-[(2-Chloro-phenoxy)-hyd...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C39H50ClN4O8P/c40-33-21-13-15-23-36(33)52-53(48,49)51-25-17-8-6-4-2-1-3-5-7-16-24-41-38(46)35(26-31-27-42-34-22-14-12-20-32(31)34)44-37(45)28-43-39(47)50-29-30-18-10-9-11-19-30/h9-15,18-23,27,35,42H,1-8,16-17,24-26,28-29H2,(H,41,46)(H,43,47)(H,44,45)(H,48,49)/t35-/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104471
PNG
(CHEMBL87995 | Phosphoric acid 12-[(R)-2-[(R)-2-ami...)
Show SMILES N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37-/m1/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104469
PNG
(CHEMBL85749 | Phosphoric acid 12-[(S)-2-amino-3-(1...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C29H41ClN3O5P/c30-25-16-10-12-18-28(25)38-39(35,36)37-20-14-8-6-4-2-1-3-5-7-13-19-32-29(34)26(31)21-23-22-33-27-17-11-9-15-24(23)27/h9-12,15-18,22,26,33H,1-8,13-14,19-21,31H2,(H,32,34)(H,35,36)/t26-/m0/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104457
PNG
(CHEMBL85239 | [(R)-1-{12-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C34H49ClN3O7P/c1-34(2,3)44-33(40)38-30(24-26-25-37-29-20-14-12-18-27(26)29)32(39)36-22-16-10-8-6-4-5-7-9-11-17-23-43-46(41,42)45-31-21-15-13-19-28(31)35/h12-15,18-21,25,30,37H,4-11,16-17,22-24H2,1-3H3,(H,36,39)(H,38,40)(H,41,42)/t30-/m1/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104470
PNG
(CHEMBL431613 | [(R)-1-[(R)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C45H59ClN5O8P/c1-45(2,3)58-44(54)51-40(30-34-28-32-20-12-15-23-37(32)49-34)43(53)50-39(29-33-31-48-38-24-16-13-21-35(33)38)42(52)47-26-18-10-8-6-4-5-7-9-11-19-27-57-60(55,56)59-41-25-17-14-22-36(41)46/h12-17,20-25,28,31,39-40,48-49H,4-11,18-19,26-27,29-30H2,1-3H3,(H,47,52)(H,50,53)(H,51,54)(H,55,56)/t39-,40-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097332
PNG
(12-(2-{1-[3-(3-Methyl-indol-1-yl)-propyl]-1H-indol...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-27-25-36(31-18-12-10-16-29(27)31)22-15-23-37-26-28(30-17-11-13-19-32(30)37)24-33(38)35-21-14-8-6-4-2-3-5-7-9-20-34(39)40/h10-13,16-19,25-26H,2-9,14-15,20-24H2,1H3,(H,35,38)(H,39,40)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104465
PNG
(CHEMBL85748 | [(S)-1-{12-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C34H49ClN3O7P/c1-34(2,3)44-33(40)38-30(24-26-25-37-29-20-14-12-18-27(26)29)32(39)36-22-16-10-8-6-4-5-7-9-11-17-23-43-46(41,42)45-31-21-15-13-19-28(31)35/h12-15,18-21,25,30,37H,4-11,16-17,22-24H2,1-3H3,(H,36,39)(H,38,40)(H,41,42)/t30-/m0/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104478
PNG
(CHEMBL409072 | Phosphoric acid 12-[(R)-2-((R)-2-am...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C38H50ClN4O6P/c39-32-21-13-15-23-36(32)49-50(46,47)48-25-17-8-6-4-2-1-3-5-7-16-24-41-38(45)35(27-30-28-42-34-22-14-12-20-31(30)34)43-37(44)33(40)26-29-18-10-9-11-19-29/h9-15,18-23,28,33,35,42H,1-8,16-17,24-27,40H2,(H,41,45)(H,43,44)(H,46,47)/t33-,35-/m1/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104497
PNG
(CHEMBL87116 | Phosphoric acid 12-[(R)-2-[(R)-2-ace...)
Show SMILES CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C42H53ClN5O7P/c1-30(49)46-39(28-33-26-31-18-10-13-21-36(31)47-33)42(51)48-38(27-32-29-45-37-22-14-11-19-34(32)37)41(50)44-24-16-8-6-4-2-3-5-7-9-17-25-54-56(52,53)55-40-23-15-12-20-35(40)43/h10-15,18-23,26,29,38-39,45,47H,2-9,16-17,24-25,27-28H2,1H3,(H,44,50)(H,46,49)(H,48,51)(H,52,53)/t38-,39-/m1/s1
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n/an/a 2.29E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104483
PNG
(CHEMBL313009 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1/C34H39ClN3O5P/c1-26-24-37(31-16-7-4-13-28(26)31)20-12-21-38-25-27(29-14-5-8-17-32(29)38)23-34(39)36-19-10-2-3-11-22-42-44(40,41)43-33-18-9-6-15-30(33)35/h4-9,13-18,24-25H,2-3,10-12,19-23H2,1H3,(H,36,39)(H,40,41)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104499
PNG
(CHEMBL313818 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)CCCc1c[nH]c2ccccc12)Oc1ccccc1Cl
Show InChI InChI=1/C30H42ClN2O5P/c31-27-18-10-12-20-29(27)38-39(35,36)37-23-14-8-6-4-2-1-3-5-7-13-22-32-30(34)21-15-16-25-24-33-28-19-11-9-17-26(25)28/h9-12,17-20,24,33H,1-8,13-16,21-23H2,(H,32,34)(H,35,36)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097320
PNG
(12-{2-[1-(3-Phenoxy-propyl)-1H-indol-3-yl]-acetyla...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C31H42N2O4/c34-30(32-21-14-7-5-3-1-2-4-6-11-20-31(35)36)24-26-25-33(29-19-13-12-18-28(26)29)22-15-23-37-27-16-9-8-10-17-27/h8-10,12-13,16-19,25H,1-7,11,14-15,20-24H2,(H,32,34)(H,35,36)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104485
PNG
(CHEMBL86349 | Phosphoric acid 2-chloro-phenyl este...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1c[nH]c2ccccc12)Oc1ccccc1Cl
Show InChI InChI=1/C28H38ClN2O5P/c29-25-16-10-12-18-27(25)36-37(33,34)35-20-14-8-6-4-2-1-3-5-7-13-19-30-28(32)21-23-22-31-26-17-11-9-15-24(23)26/h9-12,15-18,22,31H,1-8,13-14,19-21H2,(H,30,32)(H,33,34)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097328
PNG
(12-(2-{1-[2-(Naphthalen-1-yloxy)-ethyl]-1H-indol-3...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCOc2cccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H42N2O4/c37-33(35-22-13-7-5-3-1-2-4-6-8-21-34(38)39)25-28-26-36(31-19-12-11-17-29(28)31)23-24-40-32-20-14-16-27-15-9-10-18-30(27)32/h9-12,14-20,26H,1-8,13,21-25H2,(H,35,37)(H,38,39)
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n/an/a 3.50E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097323
PNG
(12-{2-[1-(2-Indol-1-yl-ethyl)-1H-indol-3-yl]-acety...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C32H41N3O3/c36-31(33-20-13-7-5-3-1-2-4-6-8-18-32(37)38)24-27-25-35(30-17-12-10-15-28(27)30)23-22-34-21-19-26-14-9-11-16-29(26)34/h9-12,14-17,19,21,25H,1-8,13,18,20,22-24H2,(H,33,36)(H,37,38)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104474
PNG
(CHEMBL262163 | Phosphoric acid 12-[(R)-2-amino-3-(...)
Show SMILES N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C29H41ClN3O5P/c30-25-16-10-12-18-28(25)38-39(35,36)37-20-14-8-6-4-2-1-3-5-7-13-19-32-29(34)26(31)21-23-22-33-27-17-11-9-15-24(23)27/h9-12,15-18,22,26,33H,1-8,13-14,19-21,31H2,(H,32,34)(H,35,36)/t26-/m1/s1
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n/an/a 4.52E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104480
PNG
(CHEMBL420795 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCC(=O)N3CCCC3C(=O)NCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1/C43H53ClN5O7P/c1-32-30-47(37-18-7-4-15-34(32)37)25-14-26-48-31-33(35-16-5-8-19-38(35)48)29-41(50)45-24-12-22-42(51)49-27-13-20-39(49)43(52)46-23-10-2-3-11-28-55-57(53,54)56-40-21-9-6-17-36(40)44/h4-9,15-19,21,30-31,39H,2-3,10-14,20,22-29H2,1H3,(H,45,50)(H,46,52)(H,53,54)
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n/an/a 4.69E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097321
PNG
(12-[2-(15-Methyl-7,8-dihydro-6H-[1,4]diazepino[1,2...)
Show SMILES Cc1c2-c3c(CC(=O)NCCCCCCCCCCCC(O)=O)c4ccccc4n3CCCn2c2ccccc12
Show InChI InChI=1S/C34H43N3O3/c1-25-26-16-10-12-18-29(26)36-22-15-23-37-30-19-13-11-17-27(30)28(34(37)33(25)36)24-31(38)35-21-14-8-6-4-2-3-5-7-9-20-32(39)40/h10-13,16-19H,2-9,14-15,20-24H2,1H3,(H,35,38)(H,39,40)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097318
PNG
(CHEMBL155030 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1ccccc1
Show InChI InChI=1/C38H47ClN3O5P/c39-33-20-21-36-31(28-33)22-24-41(36)25-26-42-30-32(35-18-12-13-19-37(35)42)29-38(43)40-23-14-7-5-3-1-2-4-6-8-15-27-46-48(44,45)47-34-16-10-9-11-17-34/h9-13,16-22,24,28,30H,1-8,14-15,23,25-27,29H2,(H,40,43)(H,44,45)
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n/an/a 6.10E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Klenow enzyme


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097325
PNG
(12-(2-6,7-Dihydro-pyrazino[1,2-a;4,3-a']diindol-13...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1c2-c3cc4ccccc4n3CCn2c2ccccc12
Show InChI InChI=1S/C32H39N3O3/c36-30(33-19-13-7-5-3-1-2-4-6-8-18-31(37)38)23-26-25-15-10-12-17-28(25)35-21-20-34-27-16-11-9-14-24(27)22-29(34)32(26)35/h9-12,14-17,22H,1-8,13,18-21,23H2,(H,33,36)(H,37,38)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097317
PNG
(12-{2-[1-(3-Cyclohexyloxy-propyl)-1H-indol-3-yl]-a...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCCOC2CCCCC2)c2ccccc12
Show InChI InChI=1S/C31H48N2O4/c34-30(32-21-14-7-5-3-1-2-4-6-11-20-31(35)36)24-26-25-33(29-19-13-12-18-28(26)29)22-15-23-37-27-16-9-8-10-17-27/h12-13,18-19,25,27H,1-11,14-17,20-24H2,(H,32,34)(H,35,36)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097316
PNG
(CHEMBL351995 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1cccc(Cl)c1
Show InChI InChI=1/C38H46Cl2N3O5P/c39-32-14-13-15-34(28-32)48-49(45,46)47-25-12-8-6-4-2-1-3-5-7-11-21-41-38(44)27-31-29-43(37-17-10-9-16-35(31)37)24-23-42-22-20-30-26-33(40)18-19-36(30)42/h9-10,13-20,22,26,28-29H,1-8,11-12,21,23-25,27H2,(H,41,44)(H,45,46)
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n/an/a 7.00E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Binding affinity towards human Beta-1 adrenergic receptor


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097324
PNG
(CHEMBL413033 | Phosphoric acid 3-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(O)(=O)Oc3cccc(Cl)c3)c3ccccc23)c2ccccc12
Show InChI InChI=1/C40H51ClN3O5P/c1-32-30-43(38-22-12-10-20-36(32)38)25-17-26-44-31-33(37-21-11-13-23-39(37)44)28-40(45)42-24-14-8-6-4-2-3-5-7-9-15-27-48-50(46,47)49-35-19-16-18-34(41)29-35/h10-13,16,18-23,29-31H,2-9,14-15,17,24-28H2,1H3,(H,42,45)(H,46,47)
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n/an/a 7.90E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Compound was evaluated for its inhibitory activity against Klenow enzyme , and IC50 value was reported


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104458
PNG
(CHEMBL84794 | Phosphoric acid 12-[(R)-2-acetylamin...)
Show SMILES CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C31H43ClN3O6P/c1-24(36)35-29(22-25-23-34-28-18-12-10-16-26(25)28)31(37)33-20-14-8-6-4-2-3-5-7-9-15-21-40-42(38,39)41-30-19-13-11-17-27(30)32/h10-13,16-19,23,29,34H,2-9,14-15,20-22H2,1H3,(H,33,37)(H,35,36)(H,38,39)/t29-/m1/s1
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n/an/a 9.07E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097329
PNG
(12-{2-[1-(3-Indol-1-yl-propyl)-1H-indol-3-yl]-acet...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCCn2ccc3ccccc23)c2ccccc12
Show InChI InChI=1S/C33H43N3O3/c37-32(34-21-13-7-5-3-1-2-4-6-8-19-33(38)39)25-28-26-36(31-18-12-10-16-29(28)31)23-14-22-35-24-20-27-15-9-11-17-30(27)35/h9-12,15-18,20,24,26H,1-8,13-14,19,21-23,25H2,(H,34,37)(H,38,39)
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n/an/a 9.20E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


Article DOI: 10.1016/s0960-894x(01)00002-6
BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104460
PNG
(CHEMBL86385 | Phosphoric acid 6-(2-{4-[(R)-2-[(S)-...)
Show SMILES N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NCC(=O)NCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H49ClN7O8P/c41-31-14-5-8-17-36(31)56-57(53,54)55-21-10-2-1-9-19-43-38(50)26-46-37(49)18-11-20-44-40(52)35(23-28-25-45-34-16-7-4-13-30(28)34)48-39(51)32(42)24-29-22-27-12-3-6-15-33(27)47-29/h3-8,12-17,22,25,32,35,45,47H,1-2,9-11,18-21,23-24,26,42H2,(H,43,50)(H,44,52)(H,46,49)(H,48,51)(H,53,54)/t32-,35+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104459
PNG
(CHEMBL314847 | [(R)-1-{6-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C28H37ClN3O7P/c1-28(2,3)38-27(34)32-24(18-20-19-31-23-14-8-6-12-21(20)23)26(33)30-16-10-4-5-11-17-37-40(35,36)39-25-15-9-7-13-22(25)29/h6-9,12-15,19,24,31H,4-5,10-11,16-18H2,1-3H3,(H,30,33)(H,32,34)(H,35,36)/t24-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104462
PNG
(CHEMBL85434 | [(S)-1-[(R)-1-{12-[(2-Chloro-phenoxy...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C45H59ClN5O8P/c1-45(2,3)58-44(54)51-40(30-34-28-32-20-12-15-23-37(32)49-34)43(53)50-39(29-33-31-48-38-24-16-13-21-35(33)38)42(52)47-26-18-10-8-6-4-5-7-9-11-19-27-57-60(55,56)59-41-25-17-14-22-36(41)46/h12-17,20-25,28,31,39-40,48-49H,4-11,18-19,26-27,29-30H2,1-3H3,(H,47,52)(H,50,53)(H,51,54)(H,55,56)/t39-,40+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104463
PNG
(((R)-1-{12-[(2-Chloro-phenoxy)-hydroxy-phosphorylo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C35H46ClN2O7P/c36-31-23-15-16-24-33(31)45-46(41,42)44-26-18-8-6-4-2-1-3-5-7-17-25-37-34(39)32(27-29-19-11-9-12-20-29)38-35(40)43-28-30-21-13-10-14-22-30/h9-16,19-24,32H,1-8,17-18,25-28H2,(H,37,39)(H,38,40)(H,41,42)/t32-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104468
PNG
(CHEMBL313345 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCCN1)Oc1ccccc1Cl
Show InChI InChI=1S/C34H48ClN4O6P/c35-28-17-10-12-20-32(28)45-46(42,43)44-23-14-8-6-4-2-1-3-5-7-13-21-37-33(40)31(39-34(41)30-19-15-22-36-30)24-26-25-38-29-18-11-9-16-27(26)29/h9-12,16-18,20,25,30-31,36,38H,1-8,13-15,19,21-24H2,(H,37,40)(H,39,41)(H,42,43)/t30-,31-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104472
PNG
(CHEMBL314161 | {(S)-1-[(R)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C43H58ClN4O8P/c1-43(2,3)55-42(51)48-37(29-32-21-13-12-14-22-32)41(50)47-38(30-33-31-46-36-25-17-15-23-34(33)36)40(49)45-27-19-10-8-6-4-5-7-9-11-20-28-54-57(52,53)56-39-26-18-16-24-35(39)44/h12-18,21-26,31,37-38,46H,4-11,19-20,27-30H2,1-3H3,(H,45,49)(H,47,50)(H,48,51)(H,52,53)/t37-,38+/m0/s1
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00507-8
BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
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