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9 similar compounds to monomer 50210176

Compile data set for download or QSAR
Wt: 357.4
BDBM50170567
Wt: 343.3
BDBM50170571
Wt: 475.3
BDBM50210171
Wt: 553.6
BDBM50210174
Wt: 532.6
BDBM50210175
Wt: 476.5
BDBM50210179
Wt: 461.5
BDBM50210180
Wt: 409.2
BDBM50210172
Wt: 472.5
BDBM50210177

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50170567,50170571,50210171,50210174,50210175,50210179,50210180,50210172,50210177   
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))
BDBM50210171
PNG
(CHEMBL3978195)
Show SMILES Clc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Cl
Show InChI InChI=1S/C20H24Cl2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.85E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210171
PNG
(CHEMBL3978195)
Show SMILES Clc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Cl
Show InChI InChI=1S/C20H24Cl2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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6.11E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated ...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50210171
PNG
(CHEMBL3978195)
Show SMILES Clc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Cl
Show InChI InChI=1S/C20H24Cl2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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1.27E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Non-competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50210171
PNG
(CHEMBL3978195)
Show SMILES Clc1ccccc1NC(=N)NC(=N)N1CCN(CC1)C(=N)NC(=N)Nc1ccccc1Cl
Show InChI InChI=1S/C20H24Cl2N10/c21-13-5-1-3-7-15(13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-8-4-2-6-14(16)22/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30)
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6.67E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated ...


Eur J Med Chem 125: 430-434 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.051
BindingDB Entry DOI: 10.7270/Q2RJ4MG6
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50210174
PNG
(CHEMBL3915689)
Show SMILES ONC(=O)c1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
Show InChI InChI=1S/C31H31N5O5/c37-30(36-38)23-6-8-26(9-7-23)32-14-17-41-29-11-10-27-19-25(29)21-40-16-2-1-15-39-20-22-4-3-5-24(18-22)28-12-13-33-31(34-27)35-28/h1-13,18-19,32,38H,14-17,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
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n/an/a 395n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed...


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210180
PNG
(CHEMBL3981879)
Show SMILES OC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H27N3O5/c30-25(31)7-4-14-34-24-9-8-22-16-21(24)18-33-13-2-1-12-32-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+
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n/an/a 47n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50210175
PNG
(CHEMBL3945293)
Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C30H36N4O5/c35-29(34-36)11-4-2-1-3-5-18-39-28-13-12-26-20-25(28)22-38-17-7-6-16-37-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20,36H,1-5,11,16-18,21-22H2,(H,34,35)(H,31,32,33)/b7-6+
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n/an/a 2.34E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells preincubated with enzyme fol...


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210177
PNG
(ONX-0803 | PACRITINIB | Pacritinib | SB-1518 | SB1...)
Show SMILES C(CN1CCCC1)Oc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3+
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n/an/a 1n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210174
PNG
(CHEMBL3915689)
Show SMILES ONC(=O)c1ccc(NCCOc2ccc3Nc4nccc(n4)-c4cccc(COC\C=C\COCc2c3)c4)cc1
Show InChI InChI=1S/C31H31N5O5/c37-30(36-38)23-6-8-26(9-7-23)32-14-17-41-29-11-10-27-19-25(29)21-40-16-2-1-15-39-20-22-4-3-5-24(18-22)28-12-13-33-31(34-27)35-28/h1-13,18-19,32,38H,14-17,20-21H2,(H,36,37)(H,33,34,35)/b2-1+
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n/an/a 1.70n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50210179
PNG
(CHEMBL3942555)
Show SMILES ONC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H28N4O5/c31-25(30-32)7-4-14-35-24-9-8-22-16-21(24)18-34-13-2-1-12-33-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16,32H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+
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n/an/a 2.40E+3n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant C-terminal FLAG/His-tagged HDAC1 (1 to 482 residues) expressed in sf21 cells preincubated with enzyme fol...


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210179
PNG
(CHEMBL3942555)
Show SMILES ONC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H28N4O5/c31-25(30-32)7-4-14-35-24-9-8-22-16-21(24)18-34-13-2-1-12-33-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16,32H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+
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n/an/a 4.70n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50210175
PNG
(CHEMBL3945293)
Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C30H36N4O5/c35-29(34-36)11-4-2-1-3-5-18-39-28-13-12-26-20-25(28)22-38-17-7-6-16-37-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20,36H,1-5,11,16-18,21-22H2,(H,34,35)(H,31,32,33)/b7-6+
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n/an/a 16n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed...


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Histone deacetylase 6


(Homo sapiens (Human))
BDBM50210179
PNG
(CHEMBL3942555)
Show SMILES ONC(=O)CCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C26H28N4O5/c31-25(30-32)7-4-14-35-24-9-8-22-16-21(24)18-34-13-2-1-12-33-17-19-5-3-6-20(15-19)23-10-11-27-26(28-22)29-23/h1-3,5-6,8-11,15-16,32H,4,7,12-14,17-18H2,(H,30,31)(H,27,28,29)/b2-1+
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n/an/a 510n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells preincubated with enzyme followed...


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50210175
PNG
(CHEMBL3945293)
Show SMILES ONC(=O)CCCCCCCOc1ccc2Nc3nccc(n3)-c3cccc(COC\C=C\COCc1c2)c3
Show InChI InChI=1S/C30H36N4O5/c35-29(34-36)11-4-2-1-3-5-18-39-28-13-12-26-20-25(28)22-38-17-7-6-16-37-21-23-9-8-10-24(19-23)27-14-15-31-30(32-26)33-27/h6-10,12-15,19-20,36H,1-5,11,16-18,21-22H2,(H,34,35)(H,31,32,33)/b7-6+
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n/an/a 5n/an/an/an/an/an/a



National University of Singapore

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) preincubated for 20 mins followed by [33P]ATP addition measured after 120 mins by Hotspot assay


J Med Chem 59: 8233-62 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00157
BindingDB Entry DOI: 10.7270/Q2W95C5G
More data for this
Ligand-Target Pair
Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2


(Homo sapiens (Human))
BDBM50210172
PNG
(CHEMBL340330)
Show SMILES CC(Cl)(Cl)C(N\C(NC#N)=N\c1cccnc1)NC(=O)c1cccc(F)c1
Show InChI InChI=1/C17H15Cl2FN6O/c1-17(18,19)15(25-14(27)11-4-2-5-12(20)8-11)26-16(23-10-21)24-13-6-3-7-22-9-13/h2-9,15H,1H3,(H,25,27)(H2,23,24,26)
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n/an/an/an/a 3.98E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro ATP-sensitive potassium channel (KATP) activity in cells expressing human KATP channels Kir6.2 and sulfonylurea receptor 2B


Bioorg Med Chem Lett 14: 397-400 (2004)


Article DOI: 10.1016/j.bmcl.2003.10.063
BindingDB Entry DOI: 10.7270/Q22V2J8T
More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170567
PNG
((3-Amino-6-methyl-benzo[b]thiophen-2-yl)-(3,4,5-tr...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2cc(C)ccc2c1N
Show InChI InChI=1S/C19H19NO4S/c1-10-5-6-12-15(7-10)25-19(16(12)20)17(21)11-8-13(22-2)18(24-4)14(9-11)23-3/h5-9H,20H2,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50170571
PNG
((3-Amino-benzo[b]thiophen-2-yl)-(3,4,5-trimethoxy-...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1sc2ccccc2c1N
Show InChI InChI=1S/C18H17NO4S/c1-21-12-8-10(9-13(22-2)17(12)23-3)16(20)18-15(19)11-6-4-5-7-14(11)24-18/h4-9H,19H2,1-3H3
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n/an/a 4.20E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair