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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'frier' and Initial = 'c'   
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50076985
PNG
(ARRRRRC-TAGGG | CHEMBL410701)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)P(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C86H133N44O37P5S/c1-35-23-126(86(143)125-67(35)132)54-19-44(49(160-54)25-154-168(144,145)77(142)42(29-173)118-73(138)41(12-7-17-106-82(97)98)117-72(137)40(11-6-16-105-81(95)96)116-71(136)39(10-5-15-104-80(93)94)115-70(135)38(9-4-14-103-79(91)92)114-69(134)37(113-68(133)36(2)87)8-3-13-102-78(89)90)164-170(148,149)156-26-50-45(20-55(161-50)127-31-109-58-62(88)107-30-108-63(58)127)166-171(150,151)157-28-52-47(22-57(163-52)130-34-112-61-66(130)121-85(101)124-76(61)141)167-172(152,153)158-27-51-46(21-56(162-51)129-33-111-60-65(129)120-84(100)123-75(60)140)165-169(146,147)155-24-48-43(131)18-53(159-48)128-32-110-59-64(128)119-83(99)122-74(59)139/h23,30-34,36-57,131,173H,3-22,24-29,87H2,1-2H3,(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,144,145)(H,146,147)(H,148,149)(H,150,151)(H,152,153)(H2,88,107,108)(H4,89,90,102)(H4,91,92,103)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H,125,132,143)(H3,99,119,122,139)(H3,100,120,123,140)(H3,101,121,124,141)/t36-,37-,38-,39-,40-,41-,42-,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 140n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human telomerase


Bioorg Med Chem Lett 9: 1273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MCH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50076987
PNG
(AKKKKKC-TAGGG | CHEMBL409746)
Show SMILES C[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)P(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)ncnc12)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C86H133N34O37P5S/c1-40-28-116(86(133)115-72(40)122)59-24-49(54(150-59)30-144-158(134,135)82(132)47(34-163)108-78(128)46(17-7-12-22-91)107-77(127)45(16-6-11-21-90)106-76(126)44(15-5-10-20-89)105-75(125)43(14-4-9-19-88)104-74(124)42(13-3-8-18-87)103-73(123)41(2)92)154-160(138,139)146-31-55-50(25-60(151-55)117-36-99-63-67(93)97-35-98-68(63)117)156-161(140,141)147-33-57-52(27-62(153-57)120-39-102-66-71(120)111-85(96)114-81(66)131)157-162(142,143)148-32-56-51(26-61(152-56)119-38-101-65-70(119)110-84(95)113-80(65)130)155-159(136,137)145-29-53-48(121)23-58(149-53)118-37-100-64-69(118)109-83(94)112-79(64)129/h28,35-39,41-62,121,163H,3-27,29-34,87-92H2,1-2H3,(H,103,123)(H,104,124)(H,105,125)(H,106,126)(H,107,127)(H,108,128)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,142,143)(H2,93,97,98)(H,115,122,133)(H3,94,109,112,129)(H3,95,110,113,130)(H3,96,111,114,131)/t41-,42-,43-,44-,45-,46-,47-,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?,58?,59?,60?,61?,62?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 290n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human telomerase


Bioorg Med Chem Lett 9: 1273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MCH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50076988
PNG
(AOOOOOC-TAGGG | CHEMBL439894)
Show SMILES C[C@@H](N)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCN)C(=O)N[C@H](CCCN)C(=O)N[C@H](CS)C(=O)P(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1OP(O)(=O)OCC1OC(CC1O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c1nc(N)[nH]c2=O)n1cnc2c(N)nc(N)nc12)n1cnc2c(N)ncnc12)n1cc(C)c(=O)[nH]c1=O
Show InChI InChI=1S/C81H124N35O36P5S/c1-35-23-112(81(128)111-68(35)118)54-19-44(49(145-54)25-139-153(129,130)77(127)42(29-158)104-74(124)41(12-7-17-86)103-73(123)40(11-6-16-85)102-72(122)39(10-5-15-84)101-71(121)38(9-4-14-83)100-70(120)37(8-3-13-82)99-69(119)36(2)87)149-155(133,134)141-26-50-45(20-55(146-50)113-31-95-58-62(88)93-30-94-64(58)113)151-156(135,136)142-27-51-46(21-56(147-51)115-32-96-59-63(89)105-78(90)106-65(59)115)152-157(137,138)143-28-52-47(22-57(148-52)116-34-98-61-67(116)108-80(92)110-76(61)126)150-154(131,132)140-24-48-43(117)18-53(144-48)114-33-97-60-66(114)107-79(91)109-75(60)125/h23,30-34,36-57,117,158H,3-22,24-29,82-87H2,1-2H3,(H,99,119)(H,100,120)(H,101,121)(H,102,122)(H,103,123)(H,104,124)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H2,88,93,94)(H,111,118,128)(H4,89,90,105,106)(H3,91,107,109,125)(H3,92,108,110,126)/t36-,37-,38-,39-,40-,41-,42-,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57?/m1/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 450n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human telomerase


Bioorg Med Chem Lett 9: 1273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MCH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50217544
PNG
(CHEMBL3143740)
Show SMILES Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)N3C=NC4C3=NC(NC(O)=O)=NC4=O)N3C=NC4C3=NC(N)=NC4=O)N3C=NC4C3=NC(N)=NC4=O)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)ON)O2)c(=O)[nH]c1=O |r,c:57,67,73,80,86,93,t:61,77,90|
Show InChI InChI=1S/C51H64N23O33P5/c1-18-7-70(50(80)68-43(18)76)30-3-20(28(99-30)12-97-112(91,92)107-55)103-109(85,86)94-9-25-21(4-31(100-25)71-14-58-34-38(52)56-13-57-39(34)71)105-110(87,88)95-11-27-23(6-33(102-27)74-17-60-36-41(74)63-48(54)66-45(36)78)106-111(89,90)96-10-26-22(5-32(101-26)73-16-59-35-40(73)62-47(53)65-44(35)77)104-108(83,84)93-8-24-19(75)2-29(98-24)72-15-61-37-42(72)64-49(67-46(37)79)69-51(81)82/h7,13-17,19-33,35-37,75H,2-6,8-12,55H2,1H3,(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,91,92)(H2,52,56,57)(H2,53,65,77)(H2,54,66,78)(H,67,69,79)(H,68,76,80)/t19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,35?,36?,37?/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.16E+3n/an/an/an/an/an/a



University of Cambridge

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human telomerase


Bioorg Med Chem Lett 9: 1273-8 (1999)


BindingDB Entry DOI: 10.7270/Q2GT5MCH
More data for this
Ligand-Target Pair