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Compile Data Set for Download or QSAR

Found 233 hits from Anhui Medical University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)

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)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408209
PNG
(CHEMBL4173813)
Show SMILES CSc1[nH]c2c(ccc(c2c(=O)c1C(C)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C14H9F6NO2S/c1-5(22)8-11(23)9-6(13(15,16)17)3-4-7(14(18,19)20)10(9)21-12(8)24-2/h3-4H,1-2H3,(H,21,23)
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n/an/a 0.710n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408211
PNG
(CHEMBL4176073)
Show SMILES CSc1[nH]c2c(F)ccc(c2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C13H9F4NO2S/c1-5(19)8-11(20)9-6(13(15,16)17)3-4-7(14)10(9)18-12(8)21-2/h3-4H,1-2H3,(H,18,20)
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n/an/a 0.790n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408210
PNG
(CHEMBL4167995)
Show SMILES CSc1[nH]c2cc(c(cc2c(=O)c1C(C)=O)C#N)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O2S/c1-6(20)11-12(21)8-3-7(5-18)9(14(15,16)17)4-10(8)19-13(11)22-2/h3-4H,1-2H3,(H,19,21)
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n/an/a 2.10n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408213
PNG
(CHEMBL4160460)
Show SMILES CSc1[nH]c2c(Cl)cc(cc2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C13H9ClF3NO2S/c1-5(19)9-11(20)7-3-6(13(15,16)17)4-8(14)10(7)18-12(9)21-2/h3-4H,1-2H3,(H,18,20)
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n/an/a 2.70n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 5n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408207
PNG
(CHEMBL4171748)
Show SMILES CCSc1[nH]c2ccc(cc2c(=O)c1C(C)=O)C(F)(F)F
Show InChI InChI=1S/C14H12F3NO2S/c1-3-21-13-11(7(2)19)12(20)9-6-8(14(15,16)17)4-5-10(9)18-13/h4-6H,3H2,1-2H3,(H,18,20)
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n/an/a 5.10n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM50408212
PNG
(CHEMBL4168224)
Show SMILES CSc1[nH]c2c(Cl)cc(cc2c(=O)c1C(C)=O)[N+]([O-])=O
Show InChI InChI=1S/C12H9ClN2O4S/c1-5(16)9-11(17)7-3-6(15(18)19)4-8(13)10(7)14-12(9)20-2/h3-4H,1-2H3,(H,14,17)
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n/an/a 25n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase subunit A supercoiling activity using relaxed pBR322 DNA as substrate after 60 mins by agarose gel ele...


Eur J Med Chem 154: 144-154 (2018)

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=1/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)

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=1/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+/s2
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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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
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n/an/a 189n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149979
PNG
(CHEMBL3770592)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(F)cc1
Show InChI InChI=1/C18H15FN2O2/c1-11-18(22)21-16(14-4-2-3-5-17(14)23-11)10-15(20-21)12-6-8-13(19)9-7-12/h2-9,11,16H,10H2,1H3
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n/an/a 221n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149968
PNG
(CHEMBL3770343)
Show SMILES Fc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O
Show InChI InChI=1/C17H12ClFN2O2/c18-11-3-6-16-13(7-11)15-8-14(10-1-4-12(19)5-2-10)20-21(15)17(22)9-23-16/h1-7,15H,8-9H2
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n/an/a 242n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/s2
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n/an/a 321n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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=1/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+/s2
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149970
PNG
(CHEMBL3769793)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccccc1Cl
Show InChI InChI=1/C18H15ClN2O2/c1-11-18(22)21-16(13-7-3-5-9-17(13)23-11)10-15(20-21)12-6-2-4-8-14(12)19/h2-9,11,16H,10H2,1H3
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n/an/a 348n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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 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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149978
PNG
(CHEMBL3770032)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1/C18H15ClN2O2/c1-11-18(22)21-16(14-4-2-3-5-17(14)23-11)10-15(20-21)12-6-8-13(19)9-7-12/h2-9,11,16H,10H2,1H3
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n/an/a 452n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149969
PNG
(CHEMBL3769971)
Show SMILES COc1ccc(cc1)C1=NN2C(C1)c1cc(Br)cc(Br)c1OCC2=O
Show InChI InChI=1/C18H14Br2N2O3/c1-24-12-4-2-10(3-5-12)15-8-16-13-6-11(19)7-14(20)18(13)25-9-17(23)22(16)21-15/h2-7,16H,8-9H2,1H3
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n/an/a 467n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149967
PNG
(CHEMBL3771168)
Show SMILES Clc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O
Show InChI InChI=1/C17H12Cl2N2O2/c18-11-3-1-10(2-4-11)14-8-15-13-7-12(19)5-6-16(13)23-9-17(22)21(15)20-14/h1-7,15H,8-9H2
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n/an/a 504n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149975
PNG
(CHEMBL3770982)
Show SMILES Fc1ccccc1C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O
Show InChI InChI=1/C17H12ClFN2O2/c18-10-5-6-16-12(7-10)15-8-14(11-3-1-2-4-13(11)19)20-21(15)17(22)9-23-16/h1-7,15H,8-9H2
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n/an/a 584n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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=1/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+/s2
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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
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)

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=1/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-/s2
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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
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50160391
PNG
(CHEMBL3786231)
Show SMILES CCCCN(CCCC)CC(=O)N1N=C(CC1c1ccccc1)c1cc2ccccc2oc1=O
Show InChI InChI=1/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=1/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-/s2
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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)

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=1/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-/s2
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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=1/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149965
PNG
(CHEMBL3771008)
Show SMILES Clc1ccccc1C1=NN2C(C1)c1ccccc1OCC2=O
Show InChI InChI=1/C17H13ClN2O2/c18-13-7-3-1-5-11(13)14-9-15-12-6-2-4-8-16(12)22-10-17(21)20(15)19-14/h1-8,15H,9-10H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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=1/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+/s2
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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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149966
PNG
(CHEMBL3770839)
Show SMILES Cc1ccc(cc1)C1=NN2C(C1)c1cc(Cl)ccc1OCC2=O
Show InChI InChI=1/C18H15ClN2O2/c1-11-2-4-12(5-3-11)15-9-16-14-8-13(19)6-7-17(14)23-10-18(22)21(16)20-15/h2-8,16H,9-10H2,1H3
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n/an/a 1.63E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149972
PNG
(CHEMBL3770481)
Show SMILES Fc1ccc(cc1)C1=NN2C(C1)c1ccccc1OCC2=O
Show InChI InChI=1/C17H13FN2O2/c18-12-7-5-11(6-8-12)14-9-15-13-3-1-2-4-16(13)22-10-17(21)20(15)19-14/h1-8,15H,9-10H2
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n/an/a 1.78E+3n/an/an/an/an/an/a



Anhui Medical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...


Bioorg Med Chem 24: 1741-8 (2016)


Article DOI: 10.1016/j.bmc.2016.02.045
BindingDB Entry DOI: 10.7270/Q2T72K99
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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PubMed
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
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=1/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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PubMed
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
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50379997
PNG
(CHEMBL2012477)
Show SMILES CC1CCN(CC(=O)N2N=C(CC2c2ccccc2)c2cc3ccccc3oc2=O)CC1
Show InChI InChI=1/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))
BDBM50446921
PNG
(CHEMBL3115509)
Show SMILES CCCCSCC(=O)N1N=C(C[C@@H]1c1ccccc1C(F)(F)F)c1cc2ccccc2oc1=O
Show InChI InChI=1/C25H23F3N2O3S/c1-2-3-12-34-15-23(31)30-21(17-9-5-6-10-19(17)25(26,27)28)14-20(29-30)18-13-16-8-4-7-11-22(16)33-24(18)32/h4-11,13,21H,2-3,12,14-15H2,1H3/t21-/s2
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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 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
Acid-sensing ion channel 1


(Rattus norvegicus)
BDBM50157090
PNG
(6-(2-(1-isopropyl-2-methyl-1,2,3,4-tetrahydroisoqu...)
Show SMILES CC(C)C1N(C)CCc2ccc(cc12)C1CC1c1ccc2cc(ccc2c1)C(N)=N
Show InChI InChI=1/C27H31N3/c1-16(2)26-25-14-21(7-4-17(25)10-11-30(26)3)24-15-23(24)20-8-5-19-13-22(27(28)29)9-6-18(19)12-20/h4-9,12-14,16,23-24,26H,10-11,15H2,1-3H3,(H3,28,29)
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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 ASIC1a in rat dorsal root ganglion neurons assessed as reduction in peak current preincubated for 120 secs followed by acid medium stim...


Bioorg Med Chem 26: 3158-3165 (2018)

More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50079532
PNG
(CHEMBL3417321)
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)N1CCN(CCO)CC1
Show InChI InChI=1/C35H50N2O4/c1-23-24-7-8-27-33(4,25(24)21-26(39)29(23)40)12-14-35(6)28-22-32(3,10-9-31(28,2)11-13-34(27,35)5)30(41)37-17-15-36(16-18-37)19-20-38/h7-8,21,28,38,40H,9-20,22H2,1-6H3/t28-,31-,32-,33+,34-,35+/s2
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n/an/a 2.01E+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
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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n/an/a 2.04E+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)

More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50105463
PNG
(2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...)
Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
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PubMed
n/an/a 2.10E+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))
BDBM50105463
PNG
(2,7-diamino-10-ethyl-9-phenylphenanthridinium brom...)
Show SMILES CCn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
Show InChI InChI=1S/C21H19N3/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14/h3-13,23H,2,22H2,1H3/p+1
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PubMed
n/an/a 2.10E+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
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