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Compile Data Set for Download or QSAR

Found 287 hits with Last Name = 'liu' and Initial = 'xh'   
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
Cholinesterase


(Equus caballus (Horse))
BDBM50307814
PNG
(CHEMBL4176194)
Show SMILES CCC1Oc2c(Br)cc(Cl)cc2C2CC(C)=NN2C1=O
Show InChI InChI=1S/C14H14BrClN2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(16)6-10(15)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3
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1.50E+3n/an/an/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by ...


Eur J Med Chem 147: 194-204 (2018)


BindingDB Entry DOI: 10.7270/Q2XG9TP4
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82145
PNG
(N-hydroxy-N-isopropyloxamate, IpOHA)
Show SMILES CC(C)N(O)C(=O)C([O-])=O
Show InChI InChI=1S/C5H9NO4/c1-3(2)6(10)4(7)5(8)9/h3,10H,1-2H3,(H,8,9)/p-1
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2.75E+3 -32.3n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307397
PNG
(CHEMBL4177151)
Show SMILES CCC1Oc2c(Br)cc(Br)cc2C2CC(C)=NN2C1=O
Show InChI InChI=1S/C14H14Br2N2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(15)6-10(16)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3
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7.60E+3n/an/an/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Mixed-type inhibition of equine serum BuChE using varying levels of butyrylthiocholine iodide as substrate preincubated for 20 mins followed by subst...


Eur J Med Chem 147: 194-204 (2018)


BindingDB Entry DOI: 10.7270/Q2XG9TP4
More data for this
Ligand-Target Pair
Protein farnesyltransferase beta/geranylgeranyltransferase type I alpha subunit


(Saccharomyces cerevisiae (Baker's yeast))
BDBM50144314
PNG
((2E,4E,6E,8E)-3,7,11-trimethyldodeca-2,4,6,8,10-pe...)
Show SMILES CC(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\COP(O)(=O)OP(O)(O)=O
Show InChI InChI=1S/C15H24O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h5-11H,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b8-5+,10-6+,14-9+,15-11+
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8.80E+3n/an/an/an/an/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Dissociation constant against yeast farnesyltransferase


Bioorg Med Chem Lett 14: 2137-40 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.077
BindingDB Entry DOI: 10.7270/Q2S181Z3
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82144
PNG
(Cyclopropane, 5)
Show SMILES NC(=O)C1(CC1)C(O)=O
Show InChI InChI=1S/C5H7NO3/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H2,6,7)(H,8,9)
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3.12E+4 -26.2n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82142
PNG
(Cyclopropane, 3)
Show SMILES OC(=O)C1(CC1)C(O)=O
Show InChI InChI=1S/C5H6O4/c6-3(7)5(1-2-5)4(8)9/h1-2H2,(H,6,7)(H,8,9)
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7.66E+4 -23.9n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Ketol-acid reductoisomerase


(Escherichia coli)
BDBM82143
PNG
(Cyclopropane, 4)
Show SMILES OC(=O)C1(CC1)C#N
Show InChI InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)
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9.53E+4 -23.3n/an/an/an/an/a8.030



Nankai University



Assay Description
Inhibition of E. coli KARI (ketol-acid reductoisomerase) is time dependent, and activity was measured by the decrease in A340 at 30 C in solutions co...


Chem Biol Drug Des 75: 228-32 (2010)


Article DOI: 10.1111/j.1747-0285.2009.00924.x
BindingDB Entry DOI: 10.7270/Q2BV7F45
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured afte...


Eur J Med Chem 147: 194-204 (2018)


BindingDB Entry DOI: 10.7270/Q2XG9TP4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 93n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of human telomerase


Eur J Med Chem 112: 231-51 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.009
BindingDB Entry DOI: 10.7270/Q2SB47N4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50079528
PNG
(CHEMBL3417316)
Show SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)NCCO
Show InChI InChI=1S/C31H43NO4/c1-19-20-7-8-23-29(4,21(20)17-22(34)25(19)35)12-14-31(6)24-18-28(3,26(36)32-15-16-33)10-9-27(24,2)11-13-30(23,31)5/h7-8,17,24,33,35H,9-16,18H2,1-6H3,(H,32,36)/t24-,27-,28-,29+,30-,31+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 95: 166-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.039
BindingDB Entry DOI: 10.7270/Q2W097NH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 170n/an/an/an/an/an/a



Guizhou University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 97: 155-63 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.063
BindingDB Entry DOI: 10.7270/Q2PZ5BH7
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50022026
PNG
(CHEMBL3297792)
Show SMILES O=C(SCc1ccco1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C15H10O4S/c16-14-12(8-10-4-1-2-6-13(10)19-14)15(17)20-9-11-5-3-7-18-11/h1-8H,9H2
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n/an/a 210n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B assessed as H2O2 production using p-tyramine substrate by fluorimetric method


Bioorg Med Chem 22: 3732-8 (2014)


Article DOI: 10.1016/j.bmc.2014.05.002
BindingDB Entry DOI: 10.7270/Q25B0425
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479689
PNG
(CHEMBL518413)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccc(cc1)-c1ccco1)-c1ccc(F)cc1F
Show InChI InChI=1S/C32H26F2N4O2/c1-20-31(35-32(40-20)26-13-12-25(33)17-27(26)34)38-30(37-15-14-21-5-2-3-6-24(21)19-37)18-28(36-38)22-8-10-23(11-9-22)29-7-4-16-39-29/h2-13,16-17,30H,14-15,18-19H2,1H3
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n/an/a 232n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478755
PNG
(CHEMBL458367)
Show SMILES C\C(=N\OC(=O)c1ccco1)N1N=C(CC1c1ccccc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H16Cl2FN3O3/c1-13(27-31-22(29)21-7-4-10-30-21)28-20(16-5-2-3-6-18(16)25)12-19(26-28)15-9-8-14(23)11-17(15)24/h2-11,20H,12H2,1H3/b27-13-
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n/an/a 271n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 280n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 90: 889-96 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.013
BindingDB Entry DOI: 10.7270/Q29S1SP6
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 280n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 74: 717-25 (2014)


Article DOI: 10.1016/j.ejmech.2013.06.014
BindingDB Entry DOI: 10.7270/Q21G0NRG
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478754
PNG
(CHEMBL515530)
Show SMILES COC1CC(=NN1\C(C)=N/OC(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C20H18F3N3O3/c1-13(25-29-19(27)15-8-10-16(11-9-15)20(21,22)23)26-18(28-2)12-17(24-26)14-6-4-3-5-7-14/h3-11,18H,12H2,1-2H3/b25-13-
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n/an/a 308n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50079529
PNG
(CHEMBL3417317)
Show SMILES CCC(O)NC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Show InChI InChI=1S/C32H45NO4/c1-8-25(35)33-27(37)29(4)12-11-28(3)13-15-31(6)23-10-9-20-19(2)26(36)22(34)17-21(20)30(23,5)14-16-32(31,7)24(28)18-29/h9-10,17,24-25,35-36H,8,11-16,18H2,1-7H3,(H,33,37)/t24-,25?,28-,29-,30+,31-,32+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 95: 166-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.039
BindingDB Entry DOI: 10.7270/Q2W097NH
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 408n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50126186
PNG
(2-(3-Naphthalen-2-yl-but-2-enoylamino)-benzoic aci...)
Show SMILES C\C(=C/C(=O)Nc1ccccc1C(O)=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C21H17NO3/c1-14(16-11-10-15-6-2-3-7-17(15)13-16)12-20(23)22-19-9-5-4-8-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)/b14-12+
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n/an/a 410n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 95: 166-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.039
BindingDB Entry DOI: 10.7270/Q2W097NH
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479687
PNG
(CHEMBL500220)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccccc1C(F)(F)F)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C34H29F3N4O3/c1-21-32(38-33(44-21)27-6-3-4-7-28(27)34(35,36)37)41-31(40-16-15-22-13-14-26(42-2)18-25(22)20-40)19-29(39-41)23-9-11-24(12-10-23)30-8-5-17-43-30/h3-14,17-18,31H,15-16,19-20H2,1-2H3
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n/an/a 417n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479690
PNG
(CHEMBL446121)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccc(F)cc1F)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C33H28F2N4O3/c1-20-32(36-33(42-20)27-12-10-25(34)17-28(27)35)39-31(38-14-13-21-9-11-26(40-2)16-24(21)19-38)18-29(37-39)22-5-7-23(8-6-22)30-4-3-15-41-30/h3-12,15-17,31H,13-14,18-19H2,1-2H3
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n/an/a 441n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50226181
PNG
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)
Show SMILES CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1
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n/an/a 457n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50446421
PNG
(CHEMBL3109740)
Show SMILES C\C(=C/C(=O)Nc1ccc(cc1C(O)=O)N1CCOCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H24N2O4/c1-17(19-7-6-18-4-2-3-5-20(18)15-19)14-24(28)26-23-9-8-21(16-22(23)25(29)30)27-10-12-31-13-11-27/h2-9,14-16H,10-13H2,1H3,(H,26,28)(H,29,30)/b17-14+
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n/an/a 470n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of human telomerase


Eur J Med Chem 112: 231-51 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.009
BindingDB Entry DOI: 10.7270/Q2SB47N4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50071058
PNG
((2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,1...)
Show SMILES C[C@]12CC[C@](C)(C[C@H]1[C@]1(C)CC[C@]3(C)C(=CC=c4c3cc(O)c(O)c4=C)[C@@]1(C)CC2)C(O)=O
Show InChI InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,30-31H,1,9-14,16H2,2-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
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n/an/a 780n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 95: 166-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.039
BindingDB Entry DOI: 10.7270/Q2W097NH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50426837
PNG
(CHEMBL2323142)
Show SMILES CC1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O
Show InChI InChI=1S/C12H10Br2N2O2/c1-6-2-10-8-3-7(13)4-9(14)12(8)18-5-11(17)16(10)15-6/h3-4,10H,2,5H2,1H3
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n/an/a 780n/an/an/an/an/an/a



Guizhou University

Curated by ChEMBL


Assay Description
Inhibition of telomerase-mediated supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay


Bioorg Med Chem Lett 23: 720-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.101
BindingDB Entry DOI: 10.7270/Q2HD7X07
More data for this
Ligand-Target Pair
Thioredoxin reductase 1 (TrxR)


(Homo sapiens (Human))
BDBM50468676
PNG
(CHEMBL4281382)
Show SMILES COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCCCOc1ccccc1\C=C\C(=O)\C=C\c1ccccn1)c2=O
Show InChI InChI=1S/C39H37NO10/c1-43-29-23-31(44-2)35-32(24-29)50-37(26-21-33(45-3)38(47-5)34(22-26)46-4)39(36(35)42)49-20-10-19-48-30-13-7-6-11-25(30)14-16-28(41)17-15-27-12-8-9-18-40-27/h6-9,11-18,21-24H,10,19-20H2,1-5H3/b16-14+,17-15+
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n/an/a 783n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of TrxR in human SGC7901 cells


Eur J Med Chem 156: 493-509 (2018)


BindingDB Entry DOI: 10.7270/Q2RV0RDJ
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50321610
PNG
(7-((6-chloropyridin-3-yl)methoxy)-2-(4-((6-chlorop...)
Show SMILES Oc1cc(OCc2ccc(Cl)nc2)cc2oc(cc(=O)c12)-c1ccc(OCc2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C27H18Cl2N2O5/c28-25-7-1-16(12-30-25)14-34-19-5-3-18(4-6-19)23-11-22(33)27-21(32)9-20(10-24(27)36-23)35-15-17-2-8-26(29)31-13-17/h1-13,32H,14-15H2
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n/an/a 800n/an/an/an/an/an/a



Nanjing University

Curated by ChEMBL


Assay Description
Inhibition of human telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 4163-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.080
BindingDB Entry DOI: 10.7270/Q28G8MPC
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479685
PNG
(CHEMBL474679)
Show SMILES COc1ccc2CCN(Cc2c1)C1CC(=NN1c1nc(oc1C)-c1ccc(F)cc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C29H24Cl2F2N4O2/c1-16-28(34-29(39-16)23-8-5-20(32)13-25(23)33)37-27(14-26(35-37)22-7-4-19(30)12-24(22)31)36-10-9-17-3-6-21(38-2)11-18(17)15-36/h3-8,11-13,27H,9-10,14-15H2,1-2H3
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n/an/a 878n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50083508
PNG
(CHEMBL3423397)
Show SMILES COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCC(=O)N\N=C\c1ccco1)c2=O
Show InChI InChI=1S/C27H26N2O10/c1-32-17-11-18(33-2)23-19(12-17)39-25(15-9-20(34-3)26(36-5)21(10-15)35-4)27(24(23)31)38-14-22(30)29-28-13-16-7-6-8-37-16/h6-13H,14H2,1-5H3,(H,29,30)/b28-13+
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n/an/a 910n/an/an/an/an/an/a



Guizhou University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 97: 155-63 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.063
BindingDB Entry DOI: 10.7270/Q2PZ5BH7
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50446919
PNG
(CHEMBL3115514)
Show SMILES CCCCSCC(=O)N1N=C(C[C@@H]1c1ccc(cc1)C(F)(F)F)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C25H23F3N2O3S/c1-2-3-12-34-15-23(31)30-21(16-8-10-18(11-9-16)25(26,27)28)14-20(29-30)19-13-17-6-4-5-7-22(17)33-24(19)32/h4-11,13,21H,2-3,12,14-15H2,1H3/t21-/m1/s1
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n/an/a 920n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 74: 717-25 (2014)


Article DOI: 10.1016/j.ejmech.2013.06.014
BindingDB Entry DOI: 10.7270/Q21G0NRG
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50479683
PNG
(CHEMBL455851)
Show SMILES Cc1oc(nc1N1N=C(CC1N1CCc2ccccc2C1)c1ccc(Cl)cc1Cl)-c1ccc(F)cc1F
Show InChI InChI=1S/C28H22Cl2F2N4O/c1-16-27(33-28(37-16)22-9-7-20(31)13-24(22)32)36-26(35-11-10-17-4-2-3-5-18(17)15-35)14-25(34-36)21-8-6-19(29)12-23(21)30/h2-9,12-13,26H,10-11,14-15H2,1H3
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n/an/a 926n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase


Bioorg Med Chem 17: 1207-13 (2009)


BindingDB Entry DOI: 10.7270/Q2TF0156
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM29158
PNG
(3-carboxamido coumarin, 8)
Show SMILES Cc1cccc(NC(=O)c2cc3ccccc3oc2=O)c1
Show InChI InChI=1S/C17H13NO3/c1-11-5-4-7-13(9-11)18-16(19)14-10-12-6-2-3-8-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
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n/an/a 930n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus infected insect cell microsomes assessed as p-tyramine conversion to resorufin and H2O...


Eur J Med Chem 80: 278-84 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.060
BindingDB Entry DOI: 10.7270/Q2S46TJH
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478757
PNG
(CHEMBL513945)
Show SMILES C\C(=N\OC(=O)c1ccco1)N1N=C(CC1c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H16Cl2F3N3O3/c1-13(30-34-22(32)21-3-2-10-33-21)31-20(14-4-6-15(7-5-14)23(26,27)28)12-19(29-31)17-9-8-16(24)11-18(17)25/h2-11,20H,12H2,1H3/b30-13-
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n/an/a 979n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50160391
PNG
(CHEMBL3786231)
Show SMILES CCCCN(CCCC)CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C28H33N3O3/c1-3-5-16-30(17-6-4-2)20-27(32)31-25(21-12-8-7-9-13-21)19-24(29-31)23-18-22-14-10-11-15-26(22)34-28(23)33/h7-15,18,25H,3-6,16-17,19-20H2,1-2H3
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n/an/a 980n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC-803 cells after 24 hrs by TRAP-PCR-ELISA assay


Eur J Med Chem 112: 231-51 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.009
BindingDB Entry DOI: 10.7270/Q2SB47N4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50062612
PNG
(CHEMBL3397662)
Show SMILES CCCc1nn(C)c(C(N)=O)c1NC(=O)\C=C\c1ccco1
Show InChI InChI=1S/C15H18N4O3/c1-3-5-11-13(14(15(16)21)19(2)18-11)17-12(20)8-7-10-6-4-9-22-10/h4,6-9H,3,5H2,1-2H3,(H2,16,21)(H,17,20)/b8-7+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 90: 889-96 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.013
BindingDB Entry DOI: 10.7270/Q29S1SP6
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50446917
PNG
(CHEMBL3115522)
Show SMILES CCCSCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C15H18Br2N2O2S/c1-3-4-22-8-14(20)19-13(5-9(2)18-19)11-6-10(16)7-12(17)15(11)21/h6-7,13,21H,3-5,8H2,1-2H3/t13-/m1/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 74: 717-25 (2014)


Article DOI: 10.1016/j.ejmech.2013.06.014
BindingDB Entry DOI: 10.7270/Q21G0NRG
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50307938
PNG
(CHEMBL4165579)
Show SMILES CC[C@H]1Oc2c(Br)cc(Cl)cc2C2CC(C)=NN2C1=O
Show InChI InChI=1S/C14H14BrClN2O2/c1-3-12-14(19)18-11(4-7(2)17-18)9-5-8(16)6-10(15)13(9)20-12/h5-6,11-12H,3-4H2,1-2H3/t11?,12-/m1/s1
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n/an/a 1.14E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured af...


Eur J Med Chem 147: 194-204 (2018)


BindingDB Entry DOI: 10.7270/Q2XG9TP4
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478758
PNG
(CHEMBL463832)
Show SMILES CC1=NN2C(C1)c1ccccc1CC2(C)C
Show InChI InChI=1S/C14H18N2/c1-10-8-13-12-7-5-4-6-11(12)9-14(2,3)16(13)15-10/h4-7,13H,8-9H2,1-3H3
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n/an/a 1.16E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM50478756
PNG
(CHEMBL457095)
Show SMILES C\C(=N\OC(=O)C=C)N1N=C(CC1c1ccccc1F)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H16Cl2FN3O2/c1-3-20(27)28-25-12(2)26-19(15-6-4-5-7-17(15)23)11-18(24-26)14-9-8-13(21)10-16(14)22/h3-10,19H,1,11H2,2H3/b25-12-
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n/an/a 1.18E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity


Bioorg Med Chem 16: 4075-82 (2008)


BindingDB Entry DOI: 10.7270/Q2S75K3F
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50446915
PNG
(CHEMBL3115524)
Show SMILES COC(=O)CSCC(=O)N1N=C(C)C[C@@H]1c1cc(Br)cc(Br)c1O
Show InChI InChI=1S/C15H16Br2N2O4S/c1-8-3-12(10-4-9(16)5-11(17)15(10)22)19(18-8)13(20)6-24-7-14(21)23-2/h4-5,12,22H,3,6-7H2,1-2H3/t12-/m1/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 74: 717-25 (2014)


Article DOI: 10.1016/j.ejmech.2013.06.014
BindingDB Entry DOI: 10.7270/Q21G0NRG
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50160320
PNG
(CHEMBL3786261)
Show SMILES CC(=O)Oc1ccccc1C1CC(C)=NN1C(=O)CCl
Show InChI InChI=1S/C14H15ClN2O3/c1-9-7-12(17(16-9)14(19)8-15)11-5-3-4-6-13(11)20-10(2)18/h3-6,12H,7-8H2,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC-803 cells after 24 hrs by TRAP-PCR-ELISA assay


Eur J Med Chem 112: 231-51 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.009
BindingDB Entry DOI: 10.7270/Q2SB47N4
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50079533
PNG
(CHEMBL3417322)
Show SMILES CN(C)CCN1CCN(CC1)C(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(C)=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Show InChI InChI=1S/C37H55N3O3/c1-25-26-9-10-29-35(4,27(26)23-28(41)31(25)42)14-16-37(6)30-24-34(3,12-11-33(30,2)13-15-36(29,37)5)32(43)40-21-19-39(20-22-40)18-17-38(7)8/h9-10,23,30,42H,11-22,24H2,1-8H3/t30-,33-,34-,35+,36-,37+/m1/s1
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n/an/a 1.41E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cell extracts after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 95: 166-73 (2015)


Article DOI: 10.1016/j.ejmech.2015.03.039
BindingDB Entry DOI: 10.7270/Q2W097NH
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50426836
PNG
(CHEMBL2323143)
Show SMILES CC1=NN2C(C1)c1cc(Cl)ccc1OCC2=O
Show InChI InChI=1S/C12H11ClN2O2/c1-7-4-10-9-5-8(13)2-3-11(9)17-6-12(16)15(10)14-7/h2-3,5,10H,4,6H2,1H3
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n/an/a 1.71E+3n/an/an/an/an/an/a



Guizhou University

Curated by ChEMBL


Assay Description
Inhibition of telomerase-mediated supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay


Bioorg Med Chem Lett 23: 720-3 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.101
BindingDB Entry DOI: 10.7270/Q2HD7X07
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327442
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2c(Br)cccc2oc1=O
Show InChI InChI=1S/C20H15BrN2O3/c1-12(24)23-18(13-6-3-2-4-7-13)11-17(22-23)15-10-14-16(21)8-5-9-19(14)26-20(15)25/h2-10,18H,11H2,1H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50083507
PNG
(CHEMBL3423394)
Show SMILES COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OCC(=O)N\N=C\c1ccccc1F)c2=O
Show InChI InChI=1S/C29H27FN2O9/c1-35-18-12-20(36-2)25-21(13-18)41-27(17-10-22(37-3)28(39-5)23(11-17)38-4)29(26(25)34)40-15-24(33)32-31-14-16-8-6-7-9-19(16)30/h6-14H,15H2,1-5H3,(H,32,33)/b31-14+
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n/an/a 1.82E+3n/an/an/an/an/an/a



Guizhou University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MDA-MB-231 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 97: 155-63 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.063
BindingDB Entry DOI: 10.7270/Q2PZ5BH7
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50062608
PNG
(CHEMBL3397658)
Show SMILES CCCc1nn(C)c(C(N)=O)c1NC(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C17H20N4O2/c1-3-7-13-15(16(17(18)23)21(2)20-13)19-14(22)11-10-12-8-5-4-6-9-12/h4-6,8-11H,3,7H2,1-2H3,(H2,18,23)(H,19,22)/b11-10+
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n/an/a 1.98E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA


Eur J Med Chem 90: 889-96 (2015)


Article DOI: 10.1016/j.ejmech.2014.12.013
BindingDB Entry DOI: 10.7270/Q29S1SP6
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50379997
PNG
(CHEMBL2012477)
Show SMILES CC1CCN(CC(=O)N2N=C(CC2c2ccccc2)c2cc3ccccc3oc2=O)CC1
Show InChI InChI=1S/C26H27N3O3/c1-18-11-13-28(14-12-18)17-25(30)29-23(19-7-3-2-4-8-19)16-22(27-29)21-15-20-9-5-6-10-24(20)32-26(21)31/h2-10,15,18,23H,11-14,16-17H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of telomerase supercoiling activity in human MGC803 cells after 24 hrs by TRAP-PCR-ELISA assay


Eur J Med Chem 51: 294-9 (2012)


Article DOI: 10.1016/j.ejmech.2012.02.040
BindingDB Entry DOI: 10.7270/Q28053M9
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50327440
PNG
(3-(1-acetyl-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-...)
Show SMILES CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1S/C20H16N2O3/c1-13(23)22-18(14-7-3-2-4-8-14)12-17(21-22)16-11-15-9-5-6-10-19(15)25-20(16)24/h2-11,18H,12H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Anhui University of Technology

Curated by ChEMBL


Assay Description
Inhibition of telomerase in human SGC7901 cells by TRAP assay


Bioorg Med Chem Lett 20: 5705-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.017
BindingDB Entry DOI: 10.7270/Q2P84C30
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50060593
PNG
(CHEMBL3394522)
Show SMILES CC1=NN(C(C1)c1cc(Br)cc(Br)c1O)C(=O)CN1CCNCC1
Show InChI InChI=1S/C16H20Br2N4O2/c1-10-6-14(12-7-11(17)8-13(18)16(12)24)22(20-10)15(23)9-21-4-2-19-3-5-21/h7-8,14,19,24H,2-6,9H2,1H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins prior to substrate addition ...


Bioorg Med Chem 23: 515-25 (2015)


Article DOI: 10.1016/j.bmc.2014.12.010
BindingDB Entry DOI: 10.7270/Q2R2132N
More data for this
Ligand-Target Pair
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