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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'abas' and Initial = 'f'   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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200n/an/an/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Mixed type inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 3...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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1.90E+3n/an/an/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Mixed type inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 m...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379853
PNG
(CHEMBL2011854)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 4n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379853
PNG
(CHEMBL2011854)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 5n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90 in human A375 cells assessed as induction of HSP70 synthesis after 24 hrs by TRITC assay


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 10n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379853
PNG
(CHEMBL2011854)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated pS6 phosphorylation in human A375 cells after 24 hrs by TRITC assay


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379853
PNG
(CHEMBL2011854)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(C)nc(N)nc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-12(2)22-19(21)23-15(14)7-13/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 36n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Erk phosphorylation in human AU565 cells after 24 hrs by TRITC assay


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 95n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 120n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 250n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (human))
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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n/an/a 400n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in insect Sf21 cells assessed as inhibition of conversion of arachidonic acid to PGE2 preincubated for...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM22372
PNG
(4-[(2R,3S)-4-(3,4-dihydroxyphenyl)-2,3-dimethylbut...)
Show SMILES C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3/t11-,12+
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n/an/a 400n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379848
PNG
(CHEMBL2011850)
Show SMILES CCCCSc1c(ccc2c(N)ncnc12)-n1cc(C)c2c1CC(C)(C)CC2=O
Show InChI InChI=1S/C23H28N4OS/c1-5-6-9-29-21-16(8-7-15-20(21)25-13-26-22(15)24)27-12-14(2)19-17(27)10-23(3,4)11-18(19)28/h7-8,12-13H,5-6,9-11H2,1-4H3,(H2,24,25,26)
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n/an/a 401n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (human))
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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n/an/a 420n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of human 5-LOX in human peripheral blood mononuclear leukocytes assessed as inhibition of calymycin A23187-stimulated LTB4 production prei...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379854
PNG
(CHEMBL2011855)
Show SMILES Cc1c(C)n(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-12(2)24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-10-23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 498n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379841
PNG
(CHEMBL2011843)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Show InChI InChI=1S/C19H20N4O/c1-11-9-23(15-7-19(2,3)8-16(24)17(11)15)12-4-5-13-14(6-12)21-10-22-18(13)20/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22)
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n/an/a 568n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50259930
PNG
(6-(10'Z-heptadecenyl)-salicylicacid | 6-[10'(Z)-he...)
Show SMILES CCCCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27)/b8-7-
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n/an/a 573n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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n/an/a 600n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379845
PNG
(CHEMBL2011847)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F
Show InChI InChI=1S/C19H19FN4O/c1-10-8-24(13-6-19(2,3)7-14(25)15(10)13)12-5-4-11-17(16(12)20)22-9-23-18(11)21/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23)
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n/an/a 665n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379840
PNG
(CHEMBL2011853)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2cnc(N)nc2c1
Show InChI InChI=1S/C19H20N4O/c1-11-10-23(15-7-19(2,3)8-16(24)17(11)15)13-5-4-12-9-21-18(20)22-14(12)6-13/h4-6,9-10H,7-8H2,1-3H3,(H2,20,21,22)
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n/an/a 705n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379842
PNG
(CHEMBL2011845)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(C)nc2c1
Show InChI InChI=1S/C20H22N4O/c1-11-10-24(16-8-20(3,4)9-17(25)18(11)16)13-5-6-14-15(7-13)22-12(2)23-19(14)21/h5-7,10H,8-9H2,1-4H3,(H2,21,22,23)
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n/an/a 731n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180620
PNG
(CHEMBL3814587)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-10-3-1-4-11-22)25-14-8-12-23(27(25)30)19-21-9-7-13-24(20-21)31-18-17-28-15-5-2-6-16-28/h1,3-4,7,9-11,13,19-20,30H,2,5-6,8,12,14-18H2/b23-19+
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n/an/a 1.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Mus musculus)
BDBM50357364
PNG
(CHEMBL1242095)
Show SMILES CC(C)=CCC\C(C)=C\Cc1c(O)cc(O)c(C(C)=O)c1O
Show InChI InChI=1S/C18H24O4/c1-11(2)6-5-7-12(3)8-9-14-15(20)10-16(21)17(13(4)19)18(14)22/h6,8,10,20-22H,5,7,9H2,1-4H3/b12-8+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of 5-LOX in calcium ionophore A23187-stimulated NMRI mouse macrophage assessed as inhibition of LTC4 production preincubated for 60 mins b...


Bioorg Med Chem 19: 6340-7 (2011)


Article DOI: 10.1016/j.bmc.2011.09.001
BindingDB Entry DOI: 10.7270/Q2RR1ZNH
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379843
PNG
(CHEMBL2011846)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)nc(N)nc2c1
Show InChI InChI=1S/C19H21N5O/c1-10-9-24(14-7-19(2,3)8-15(25)16(10)14)11-4-5-12-13(6-11)22-18(21)23-17(12)20/h4-6,9H,7-8H2,1-3H3,(H4,20,21,22,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180623
PNG
(CHEMBL3814100)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-7-2-1-3-8-21)24-10-6-9-22(26(24)29)19-20-11-13-23(14-12-20)30-18-17-27-15-4-5-16-27/h1-3,7-8,11-14,19,29H,4-6,9-10,15-18H2/b22-19+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Cyclooxygenase


(Bos taurus)
BDBM50140172
PNG
(CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Tab...)
Show SMILES COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universiti Kebangsaan Malaysia

Curated by ChEMBL


Assay Description
Inhibition of bovine seminal vesicle COX uing [1-14C]PGH2 as substrate by TLC/liquid scintillation spectrometry method


Bioorg Med Chem Lett 26: 2531-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.092
BindingDB Entry DOI: 10.7270/Q23J3FVS
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50292424
PNG
(Anacardic acid 10'Z-monoene | CHEMBL470264)
Show SMILES CCCC\C=C/CCCCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h5-6,15,17-18,23H,2-4,7-14,16H2,1H3,(H,24,25)/b6-5-
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n/an/a 2.17E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180623
PNG
(CHEMBL3814100)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-7-2-1-3-8-21)24-10-6-9-22(26(24)29)19-20-11-13-23(14-12-20)30-18-17-27-15-4-5-16-27/h1-3,7-8,11-14,19,29H,4-6,9-10,15-18H2/b22-19+
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180621
PNG
(CHEMBL3814621)
Show SMILES OC1=C(CCC\C1=C/c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-8-3-1-4-9-22)25-11-7-10-23(27(25)30)20-21-12-14-24(15-13-21)31-19-18-28-16-5-2-6-17-28/h1,3-4,8-9,12-15,20,30H,2,5-7,10-11,16-19H2/b23-20+
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n/an/a 2.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 3.00E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM50055660
PNG
(1-amino-3-(4-(4-(2-(amino(iminio)methylamino)aceta...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)CN=C(N)N)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
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n/an/a 3.10E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)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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n/an/a 3.10E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180620
PNG
(CHEMBL3814587)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C27H31NO3/c29-26(22-10-3-1-4-11-22)25-14-8-12-23(27(25)30)19-21-9-7-13-24(20-21)31-18-17-28-15-5-2-6-16-28/h1,3-4,7,9-11,13,19-20,30H,2,5-6,8,12,14-18H2/b23-19+
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n/an/a 3.10E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50347127
PNG
(CHEMBL1797234)
Show SMILES CCCCC[C@H](O)\C=C\CCCCCCCc1cccc(O)c1C(O)=O
Show InChI InChI=1S/C22H34O4/c1-2-3-9-15-19(23)16-11-8-6-4-5-7-10-13-18-14-12-17-20(24)21(18)22(25)26/h11-12,14,16-17,19,23-24H,2-10,13,15H2,1H3,(H,25,26)/b16-11+/t19-/m0/s1
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n/an/a 3.18E+3n/an/an/an/an/an/a



University Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide as substrate after 10 mins by Ellman's spectrophotometric method


Bioorg Med Chem Lett 21: 4097-103 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.065
BindingDB Entry DOI: 10.7270/Q21Z44RM
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM50370548
PNG
(NOGALAMYCIN)
Show SMILES CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC
Show InChI InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
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n/an/a 3.30E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM50370548
PNG
(NOGALAMYCIN)
Show SMILES CO[C@H]1[C@H](C)O[C@@H](O[C@H]2C[C@](C)(O)[C@H](C(=O)OC)c3cc4C(=O)c5c6O[C@@H]7O[C@@](C)([C@H](O)[C@H]([C@@H]7O)N(C)C)c6cc(O)c5C(=O)c4c(O)c23)[C@H](OC)[C@]1(C)OC
Show InChI InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
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n/an/a 3.50E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180622
PNG
(CHEMBL3814519)
Show SMILES OC1=C(CCC\C1=C/c1cccc(OCCN2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C26H29NO3/c28-25(21-9-2-1-3-10-21)24-13-7-11-22(26(24)29)18-20-8-6-12-23(19-20)30-17-16-27-14-4-5-15-27/h1-3,6,8-10,12,18-19,29H,4-5,7,11,13-17H2/b22-18+
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379849
PNG
(CHEMBL2011851)
Show SMILES Cc1cn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1SCC=C
Show InChI InChI=1S/C22H24N4OS/c1-5-8-28-20-15(7-6-14-19(20)24-12-25-21(14)23)26-11-13(2)18-16(26)9-22(3,4)10-17(18)27/h5-7,11-12H,1,8-10H2,2-4H3,(H2,23,24,25)
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n/an/a 3.66E+3n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human SKBR3 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379857
PNG
(CHEMBL2011858)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1F
Show InChI InChI=1S/C18H18FN5O/c1-9-14-12(6-18(2,3)7-13(14)25)24(23-9)11-5-4-10-16(15(11)19)21-8-22-17(10)20/h4-5,8H,6-7H2,1-3H3,(H2,20,21,22)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM32017
PNG
((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...)
Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O
Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1
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n/an/a 4.40E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
The hydrolysis of ATP catalyzed by PfUDN was assayed by measuring the formation of Pi from [γ-32P] ATP. The reaction mixture of 10 μl conta...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379855
PNG
(CHEMBL2011856)
Show SMILES CCc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Show InChI InChI=1S/C19H21N5O/c1-4-13-17-15(8-19(2,3)9-16(17)25)24(23-13)11-5-6-12-14(7-11)21-10-22-18(12)20/h5-7,10H,4,8-9H2,1-3H3,(H2,20,21,22)
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n/an/a 4.51E+3n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50180626
PNG
(CHEMBL3601745)
Show SMILES OC1=C(CCC\C1=C/c1ccc(O)c(Br)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17BrO3/c21-17-12-13(9-10-18(17)22)11-15-7-4-8-16(20(15)24)19(23)14-5-2-1-3-6-14/h1-3,5-6,9-12,22,24H,4,7-8H2/b15-11+
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n/an/a 4.70E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine iodide as substrate measured after 30 mins by E...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM50055660
PNG
(1-amino-3-(4-(4-(2-(amino(iminio)methylamino)aceta...)
Show SMILES Cn1cc(NC(=O)c2cc(NC(=O)CN=C(N)N)cn2C)cc1C(=O)NCCC(N)=N
Show InChI InChI=1S/C18H26N10O3/c1-27-9-11(6-12(27)16(30)23-4-3-14(19)20)26-17(31)13-5-10(8-28(13)2)25-15(29)7-24-18(21)22/h5-6,8-9H,3-4,7H2,1-2H3,(H3,19,20)(H,23,30)(H,25,29)(H,26,31)(H4,21,22,24)
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n/an/a 4.70E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
UvrD helicase (PfUDN)


(Plasmodium falciparum)
BDBM200295
PNG
(AB00053825_07 | Ethidium bromide | cid_3624)
Show SMILES CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)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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n/an/a 4.80E+3n/an/an/an/a8.037



International Centre for Genetic Engineering and Biotechnology



Assay Description
Helicase assay was demonstrated using the purified fraction of PfUDN. The specially designed partial duplex substrate consisted of a 32P-labelled 47-...


BMC Biochem 15: 9 (2014)


Article DOI: 10.1186/1471-2091-15-9
BindingDB Entry DOI: 10.7270/Q25H7F45
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180616
PNG
(CHEMBL3601747)
Show SMILES OC1=C(CCC\C1=C/c1cccs1)C(=O)c1ccccc1
Show InChI InChI=1S/C18H16O2S/c19-17(13-6-2-1-3-7-13)16-10-4-8-14(18(16)20)12-15-9-5-11-21-15/h1-3,5-7,9,11-12,20H,4,8,10H2/b14-12+
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n/an/a 5.10E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180599
PNG
(CHEMBL3813978)
Show SMILES OC1=C(CCC\C1=C/c1ccc(Cl)cc1Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Cl2O2/c21-16-10-9-14(18(22)12-16)11-15-7-4-8-17(20(15)24)19(23)13-5-2-1-3-6-13/h1-3,5-6,9-12,24H,4,7-8H2/b15-11+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
HSP90 and hnRNPA2/B1


(Homo sapiens (human))
BDBM50379852
PNG
(CHEMBL2011844)
Show SMILES Cc1nn(c2CC(C)(C)CC(=O)c12)-c1ccc2c(N)ncnc2c1
Show InChI InChI=1S/C18H19N5O/c1-10-16-14(7-18(2,3)8-15(16)24)23(22-10)11-4-5-12-13(6-11)20-9-21-17(12)19/h4-6,9H,7-8H2,1-3H3,(H2,19,20,21)
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n/an/a 5.81E+3n/an/an/an/an/an/a



Serenex Inc.

Curated by ChEMBL


Assay Description
Inhibition of HSP90-mediated Her2 degradation in human AU565 cells after 24 hrs by ELISA


Bioorg Med Chem Lett 22: 2550-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.137
BindingDB Entry DOI: 10.7270/Q2WQ04TB
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180598
PNG
(CHEMBL3814375)
Show SMILES OC1=C(CCC\C1=C/c1cccc(Cl)c1Cl)C(=O)c1ccccc1
Show InChI InChI=1S/C20H16Cl2O2/c21-17-11-5-8-14(18(17)22)12-15-9-4-10-16(20(15)24)19(23)13-6-2-1-3-7-13/h1-3,5-8,11-12,24H,4,9-10H2/b15-12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50180617
PNG
(CHEMBL3601748)
Show SMILES Cc1ccc(\C=C2/CCCC(C(=O)c3ccccc3)=C2O)s1
Show InChI InChI=1S/C19H18O2S/c1-13-10-11-16(22-13)12-15-8-5-9-17(19(15)21)18(20)14-6-3-2-4-7-14/h2-4,6-7,10-12,21H,5,8-9H2,1H3/b15-12+
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n/an/a 5.90E+3n/an/an/an/an/an/a



Universiti Putra Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...


Bioorg Med Chem 24: 3742-51 (2016)


Article DOI: 10.1016/j.bmc.2016.06.016
BindingDB Entry DOI: 10.7270/Q208677P
More data for this
Ligand-Target Pair
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