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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'bianco' and Initial = 'a'   
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))
BDBM50339190
PNG
(CHEMBL443683 | telomestatin)
Show SMILES Cc1oc2nc1c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1nc(co1)c1SCc(n1)c1[nH]c2c(C)o1
Show InChI InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,33H,8H2,1-2H3/b20-11+,21-14+,26-15+
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n/an/a 0.700n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens (Human))
BDBM50325995
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...)
Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NCCCC[C@@H]1CNC(=O)C[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)C1
Show InChI InChI=1/C117H176N24O23/c118-55-13-7-25-92(121)109(156)132-74-106(153)136-98(67-80-37-49-89(145)50-38-80)115(162)139-95(64-77-31-43-86(142)44-32-77)112(159)127-61-16-1-4-28-101(148)124-58-19-10-22-83-70-105(152)135-85(24-12-21-60-126-103(150)30-6-3-18-63-129-114(161)97(66-79-35-47-88(144)48-36-79)141-117(164)100(69-82-41-53-91(147)54-42-82)138-108(155)76-134-111(158)94(123)27-9-15-57-120)73-130-84(71-104(151)131-72-83)23-11-20-59-125-102(149)29-5-2-17-62-128-113(160)96(65-78-33-45-87(143)46-34-78)140-116(163)99(68-81-39-51-90(146)52-40-81)137-107(154)75-133-110(157)93(122)26-8-14-56-119/h31-54,83-85,92-100,130,142-147H,1-30,55-76,118-123H2,(H,124,148)(H,125,149)(H,126,150)(H,127,159)(H,128,160)(H,129,161)(H,131,151)(H,132,156)(H,133,157)(H,134,158)(H,135,152)(H,136,153)(H,137,154)(H,138,155)(H,139,162)(H,140,163)(H,141,164)/t83-,84-,85-,92-,93-,94-,95-,96-,97-,98-,99-,100-/s2
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n/an/a 50n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)


Article DOI: 10.1038/nchembio746
BindingDB Entry DOI: 10.7270/Q2WD40SN
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens (Human))
BDBM50325994
PNG
((2S,2'S,2''S)-N,N',N''-((4S,4'S,4''S,7S,7'S,7''S)-...)
Show SMILES C[C@H]1NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CCCCNC(=O)CCCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC1=O
Show InChI InChI=1/C123H183N27O27/c1-76-109(163)145-95(29-14-23-62-131-104(158)32-8-5-20-65-134-116(170)98(68-80-36-48-86(152)49-37-80)149-122(176)101(71-83-42-54-89(155)55-43-83)143-107(161)74-137-113(167)92(128)26-11-17-59-125)119(173)140-78(3)111(165)147-96(30-15-24-63-132-105(159)33-9-6-21-66-135-117(171)99(69-81-38-50-87(153)51-39-81)150-123(177)102(72-84-44-56-90(156)57-45-84)144-108(162)75-138-114(168)93(129)27-12-18-60-126)120(174)141-77(2)110(164)146-94(118(172)139-76)28-13-22-61-130-103(157)31-7-4-19-64-133-115(169)97(67-79-34-46-85(151)47-35-79)148-121(175)100(70-82-40-52-88(154)53-41-82)142-106(160)73-136-112(166)91(127)25-10-16-58-124/h34-57,76-78,91-102,151-156H,4-33,58-75,124-129H2,1-3H3,(H,130,157)(H,131,158)(H,132,159)(H,133,169)(H,134,170)(H,135,171)(H,136,166)(H,137,167)(H,138,168)(H,139,172)(H,140,173)(H,141,174)(H,142,160)(H,143,161)(H,144,162)(H,145,163)(H,146,164)(H,147,165)(H,148,175)(H,149,176)(H,150,177)/t76-,77-,78-,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+/s2
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n/an/a 78n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)


Article DOI: 10.1038/nchembio746
BindingDB Entry DOI: 10.7270/Q2WD40SN
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229834
PNG
(CHEMBL328270)
Show SMILES COC(=O)CCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C9H14N4O5S2/c1-18-7(15)5-3-2-4-6(14)11-8-12-13-9(19-8)20(10,16)17/h2-5H2,1H3,(H2,10,16,17)(H,11,12,14)
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n/an/a 230n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229838
PNG
(CHEMBL88183)
Show SMILES CCCCCOC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-3-4-5-8-21-10(18)7-6-9(17)14-11-16(2)15-12(22-11)23(13,19)20/h3-8H2,1-2H3,(H2,13,19,20)/b14-11+
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n/an/a 310n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229841
PNG
(CHEMBL420799)
Show SMILES CCC(C)OC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1/C10H16N4O5S2/c1-3-6(2)19-8(16)5-4-7(15)12-9-13-14-10(20-9)21(11,17)18/h6H,3-5H2,1-2H3,(H2,11,17,18)(H,12,13,15)
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n/an/a 370n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229842
PNG
(CHEMBL90119)
Show SMILES CCCCCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N4O5S2/c1-2-3-4-7-20-9(17)6-5-8(16)13-10-14-15-11(21-10)22(12,18)19/h2-7H2,1H3,(H2,12,18,19)(H,13,14,16)
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n/an/a 390n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50212309
PNG
(CHEMBL91302)
Show SMILES NCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H13N5O3S2/c8-4-2-1-3-5(13)10-6-11-12-7(16-6)17(9,14)15/h1-4,8H2,(H2,9,14,15)(H,10,11,13)
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n/an/a 440n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 440n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229847
PNG
(CHEMBL91512)
Show SMILES COC(=O)CCC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-12-7(18-8(11-12)19(9,15)16)10-5(13)3-4-6(14)17-2/h3-4H2,1-2H3,(H2,9,15,16)/b10-7+
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n/an/a 450n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229846
PNG
(CHEMBL264307)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCCCCCC(O)=O)s1
Show InChI InChI=1S/C11H18N4O5S2/c12-22(19,20)11-15-14-10(21-11)13-8(16)6-4-2-1-3-5-7-9(17)18/h1-7H2,(H,17,18)(H2,12,19,20)(H,13,14,16)
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n/an/a 480n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229845
PNG
(CHEMBL91517)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCC(O)=O)s1
Show InChI InChI=1S/C7H10N4O5S2/c8-18(15,16)7-11-10-6(17-7)9-4(12)2-1-3-5(13)14/h1-3H2,(H,13,14)(H2,8,15,16)(H,9,10,12)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229839
PNG
(CHEMBL91622)
Show SMILES CCCCCCCCCCCCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C18H32N4O5S2/c1-2-3-4-5-6-7-8-9-10-11-14-27-16(24)13-12-15(23)20-17-21-22-18(28-17)29(19,25)26/h2-14H2,1H3,(H2,19,25,26)(H,20,21,23)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229835
PNG
(CHEMBL90857)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCCCC(O)=O)s1
Show InChI InChI=1S/C8H12N4O5S2/c9-19(16,17)8-12-11-7(18-8)10-5(13)3-1-2-4-6(14)15/h1-4H2,(H,14,15)(H2,9,16,17)(H,10,11,13)
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n/an/a 520n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229836
PNG
(CHEMBL92500)
Show SMILES COC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C7H10N4O5S2/c1-16-5(13)3-2-4(12)9-6-10-11-7(17-6)18(8,14)15/h2-3H2,1H3,(H2,8,14,15)(H,9,10,12)
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n/an/a 550n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50185303
PNG
(CHEMBL88115)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCC(O)=O)s1
Show InChI InChI=1S/C6H8N4O5S2/c7-17(14,15)6-10-9-5(16-6)8-3(11)1-2-4(12)13/h1-2H2,(H,12,13)(H2,7,14,15)(H,8,9,11)
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n/an/a 550n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229843
PNG
(CHEMBL91131)
Show SMILES CCOC(=O)CCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-2-17-6(14)4-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13)
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n/an/a 730n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229837
PNG
(CHEMBL89489)
Show SMILES COC(=O)CCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N4O5S2/c1-17-6(14)4-2-3-5(13)10-7-11-12-8(18-7)19(9,15)16/h2-4H2,1H3,(H2,9,15,16)(H,10,11,13)
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n/an/a 910n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229844
PNG
(CHEMBL328566)
Show SMILES COC(=O)CCCCCCCC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N4O5S2/c1-21-10(18)8-6-4-2-3-5-7-9(17)14-11-15-16-12(22-11)23(13,19)20/h2-8H2,1H3,(H2,13,19,20)(H,14,15,17)
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n/an/a 910n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50229840
PNG
(CHEMBL329625)
Show SMILES COC(=O)CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C6H8N4O5S2/c1-15-4(12)2-3(11)8-5-9-10-6(16-5)17(7,13)14/h2H2,1H3,(H2,7,13,14)(H,8,9,11)
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n/an/a 940n/an/an/an/an/an/a



Istituto Chimico Internazionale Dr. G. Rende

Curated by ChEMBL


Assay Description
Inhibition of Carbonic anhydrase enzyme in rabbits


J Med Chem 35: 2697-703 (1992)


Article DOI: 10.1021/jm00092a021
BindingDB Entry DOI: 10.7270/Q2K076G9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339188
PNG
(CHEMBL1689442 | N,N'-Bis[2-(1-piperidino)-ethyl]-1...)
Show SMILES CN(C)CCCN1CCN(CC1)c1cc2c3c(ccc4c5ccc6c7c(ccc(c1c34)c57)c(=O)n(CCN1CCCCC1)c6=O)c(=O)n(CCN1CCCCC1)c2=O
Show InChI InChI=1S/C47H55N7O4/c1-48(2)16-9-21-51-22-26-52(27-23-51)38-30-37-41-36(46(57)54(47(37)58)29-25-50-19-7-4-8-20-50)14-11-32-31-10-13-34-40-35(15-12-33(39(31)40)42(38)43(32)41)45(56)53(44(34)55)28-24-49-17-5-3-6-18-49/h10-15,30H,3-9,16-29H2,1-2H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 5


(Homo sapiens (Human))
BDBM50325996
PNG
(CHEMBL1241019 | N1-((5S,11S,14S,44S,47S,53S)-1,5,5...)
Show SMILES NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NCCCOCC(COCCCNC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)(COCCCNC(=O)CCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@@H](N)CCCCN)NC(=O)CCC(N)=O
Show InChI InChI=1/C113H169N23O26/c114-51-10-7-19-87(117)104(151)127-69-101(148)130-93(66-78-31-43-84(140)44-32-78)110(157)133-90(63-75-25-37-81(137)38-26-75)107(154)124-54-13-1-4-22-97(144)121-57-16-60-160-72-113(136-100(147)50-49-96(120)143,73-161-61-17-58-122-98(145)23-5-2-14-55-125-108(155)91(64-76-27-39-82(138)40-28-76)134-111(158)94(67-79-33-45-85(141)46-34-79)131-102(149)70-128-105(152)88(118)20-8-11-52-115)74-162-62-18-59-123-99(146)24-6-3-15-56-126-109(156)92(65-77-29-41-83(139)42-30-77)135-112(159)95(68-80-35-47-86(142)48-36-80)132-103(150)71-129-106(153)89(119)21-9-12-53-116/h25-48,87-95,137-142H,1-24,49-74,114-119H2,(H2,120,143)(H,121,144)(H,122,145)(H,123,146)(H,124,154)(H,125,155)(H,126,156)(H,127,151)(H,128,152)(H,129,153)(H,130,148)(H,131,149)(H,132,150)(H,133,157)(H,134,158)(H,135,159)(H,136,147)/t87-,88-,89-,90-,91-,92-,93-,94-,95-/s2
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n/an/a 9.90E+3n/an/an/an/an/an/a



Institut de Biologie Moléculaire et Cellulaire

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CD40L:mouse CD8 tail binding to human CD40 by surface plasmon resonance method


Nat Chem Biol 1: 377-82 (2005)


Article DOI: 10.1038/nchembio746
BindingDB Entry DOI: 10.7270/Q2WD40SN
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339187
PNG
(CHEMBL1689438 | N,N'-Bis(5-(1-piperidino)-3-oxapen...)
Show SMILES O=c1n(CCOCCN2CCCCC2)c(=O)c2ccc3c4c(cc5c6c(ccc(c7ccc1c2c37)c46)c(=O)n(CCOCCN1CCCCC1)c5=O)N1CCCCC1
Show InChI InChI=1S/C47H53N5O6/c53-44-34-13-10-31-32-11-14-36-41-37(47(56)52(46(36)55)25-29-58-27-23-49-18-6-2-7-19-49)30-38(50-20-8-3-9-21-50)42(43(32)41)33-12-15-35(40(34)39(31)33)45(54)51(44)24-28-57-26-22-48-16-4-1-5-17-48/h10-15,30H,1-9,16-29H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50339189
PNG
(CHEMBL1689441 | N,N'-Bis[2-(1-piperidino)-ethyl]-1...)
Show SMILES CN1CCN(CC1)c1cc2c3c(ccc4c5c(cc6c7c(ccc(c1c34)c57)c(=O)n(CCN1CCCCC1)c6=O)N1CCN(C)CC1)c(=O)n(CCN1CCCCC1)c2=O
Show InChI InChI=1S/C48H56N8O4/c1-49-17-23-53(24-18-49)37-29-35-39-33(45(57)55(47(35)59)27-21-51-13-5-3-6-14-51)12-10-32-42-38(54-25-19-50(2)20-26-54)30-36-40-34(11-9-31(44(40)42)41(37)43(32)39)46(58)56(48(36)60)28-22-52-15-7-4-8-16-52/h9-12,29-30H,3-8,13-28H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universita` degli Studi La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of human Telomerase activity in cell free system by TRAP assay


J Med Chem 54: 1140-56 (2011)


Article DOI: 10.1021/jm1013665
BindingDB Entry DOI: 10.7270/Q2GB24CR
More data for this
Ligand-Target Pair