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20 similar compounds to monomer 50149925

Compile data set for download or QSAR
Wt: 535.6
BDBM50149986
Wt: 369.5
BDBM50149981
Wt: 521.6
BDBM50149984
Wt: 535.6
BDBM50149988
Wt: 463.5
BDBM50149992
Wt: 351.3
BDBM50149947
Wt: 320.3
BDBM50149914
Wt: 349.3
BDBM50149915
Wt: 240.2
BDBM50149928
Wt: 207.2
BDBM50149934
Wt: 268.3
BDBM50149957
Wt: 296.3
BDBM50149959
Wt: 306.3
BDBM50149976
Wt: 326.7
BDBM50149978
Wt: 283.4
BDBM50149942
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50149986,50149981,50149984,50149988,50149992,50149947,50149914,50149915,50149928,50149934,50149957,50149959,50149976,50149978,50149942   
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
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149914
PNG
(CHEMBL3770030)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3cccnc3)c2)nc2cnccc12
Show InChI InChI=1S/C28H24BrN5O5S/c29-20-14-15-25(31-17-20)34-26(35)16-23(28(37)32-21-6-2-1-3-7-21)33-27(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149928
PNG
(CHEMBL3770926)
Show SMILES O=c1[nH]c(Oc2cccnc2)nc2cnccc12
Show InChI InChI=1S/C28H24BrN5O5S/c29-20-12-15-25(31-17-20)34-26(35)16-23(33-27(36)19-6-2-1-3-7-19)28(37)32-21-13-10-18(11-14-21)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149928
PNG
(CHEMBL3770926)
Show SMILES O=c1[nH]c(Oc2cccnc2)nc2cnccc12
Show InChI InChI=1S/C28H24BrN5O5S/c29-20-12-15-25(31-17-20)34-26(35)16-23(33-27(36)19-6-2-1-3-7-19)28(37)32-21-13-10-18(11-14-21)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
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n/an/a 501n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149934
PNG
(CHEMBL3770812)
Show SMILES CCSc1nc2cnccc2c(=O)[nH]1
Show InChI InChI=1S/C26H26BrN5O6S/c27-19-9-10-23(29-16-19)31-24(33)15-21(26(35)32-11-13-38-14-12-32)30-25(34)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,36)37/h1-10,16,21H,11-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50149942
PNG
(CHEMBL3770663)
Show SMILES CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
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n/an/a 33n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human norepinephrine transporter assessed as reduction in [3H]-NA reuptake


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50149942
PNG
(CHEMBL3770663)
Show SMILES CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
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n/an/a 40n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human DA transporter assessed as reduction in [3H]-DA reuptake


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50149947
PNG
(CHEMBL3770126)
Show SMILES CN1C2CCC1CC(C2)Oc1ccc2cc(-c3ccoc3)c(=O)oc2c1
Show InChI InChI=1S/C27H29BrN6O5S/c1-33-12-14-34(15-13-33)27(37)22(16-25(35)32-24-11-10-20(28)17-30-24)31-26(36)19-8-6-18(7-9-19)21-4-2-3-5-23(21)40(29,38)39/h2-11,17,22H,12-16H2,1H3,(H,31,36)(H2,29,38,39)(H,30,32,35)
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n/an/a 2.90n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of 5-HT in Wistar rat synaptosomes assessed as [3H]-5-HT reuptake by liquid scintillation counting


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50149947
PNG
(CHEMBL3770126)
Show SMILES CN1C2CCC1CC(C2)Oc1ccc2cc(-c3ccoc3)c(=O)oc2c1
Show InChI InChI=1S/C27H29BrN6O5S/c1-33-12-14-34(15-13-33)27(37)22(16-25(35)32-24-11-10-20(28)17-30-24)31-26(36)19-8-6-18(7-9-19)21-4-2-3-5-23(21)40(29,38)39/h2-11,17,22H,12-16H2,1H3,(H,31,36)(H2,29,38,39)(H,30,32,35)
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n/an/a 70n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of DAT in Wistar rat synaptosomes assessed as [3H]-DA reuptake by liquid scintillation counting


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50149942
PNG
(CHEMBL3770663)
Show SMILES CNC[C@@]1(CC[C@@](C)(O)CC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C26H26BrN5O5S/c27-19-11-12-23(29-16-19)31-24(33)15-21(26(35)32-13-3-4-14-32)30-25(34)18-9-7-17(8-10-18)20-5-1-2-6-22(20)38(28,36)37/h1-2,5-12,16,21H,3-4,13-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
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n/an/a 11n/an/an/an/an/an/a



School of Medicine of University of Electronic Science and Technology of China

Curated by ChEMBL


Assay Description
Inhibition of recombinant human 5-HT transporter expressed in HEK293 cells assessed as reduction in [3H]-5-HT reuptake


Bioorg Med Chem 24: 1419-30 (2016)


Article DOI: 10.1016/j.bmc.2016.02.030
BindingDB Entry DOI: 10.7270/Q22N5444
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149957
PNG
(CHEMBL3769730)
Show SMILES CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C26H26BrN5O7S2/c27-19-9-10-23(29-16-19)31-24(33)15-21(26(35)32-11-13-40(36,37)14-12-32)30-25(34)18-7-5-17(6-8-18)20-3-1-2-4-22(20)41(28,38)39/h1-10,16,21H,11-15H2,(H,30,34)(H2,28,38,39)(H,29,31,33)
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50149959
PNG
(CHEMBL3769959)
Show SMILES CCCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C27H28BrN5O5S/c28-20-12-13-24(30-17-20)32-25(34)16-22(27(36)33-14-4-1-5-15-33)31-26(35)19-10-8-18(9-11-19)21-6-2-3-7-23(21)39(29,37)38/h2-3,6-13,17,22H,1,4-5,14-16H2,(H,31,35)(H2,29,37,38)(H,30,32,34)
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n/an/a 4.09E+4n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149957
PNG
(CHEMBL3769730)
Show SMILES CCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C26H26BrN5O7S2/c27-19-9-10-23(29-16-19)31-24(33)15-21(26(35)32-11-13-40(36,37)14-12-32)30-25(34)18-7-5-17(6-8-18)20-3-1-2-4-22(20)41(28,38)39/h1-10,16,21H,11-15H2,(H,30,34)(H2,28,38,39)(H,29,31,33)
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n/an/a 6.06E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50149959
PNG
(CHEMBL3769959)
Show SMILES CCCCOC(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C27H28BrN5O5S/c28-20-12-13-24(30-17-20)32-25(34)16-22(27(36)33-14-4-1-5-15-33)31-26(35)19-10-8-18(9-11-19)21-6-2-3-7-23(21)39(29,37)38/h2-3,6-13,17,22H,1,4-5,14-16H2,(H,31,35)(H2,29,37,38)(H,30,32,34)
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n/an/a 9.26E+3n/an/an/an/an/an/a



University of Pardubice

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by spectrophotometric-based Ellman's method


Bioorg Med Chem 24: 1560-72 (2016)


Article DOI: 10.1016/j.bmc.2016.02.033
BindingDB Entry DOI: 10.7270/Q2XW4MPW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50149976
PNG
(CHEMBL3770129)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C27H23BrN6O5S/c28-19-9-12-24(31-16-19)34-25(35)14-22(33-26(36)18-4-3-13-30-15-18)27(37)32-20-10-7-17(8-11-20)21-5-1-2-6-23(21)40(29,38)39/h1-13,15-16,22H,14H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)
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n/an/a 4.52E+4n/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))
BDBM50149978
PNG
(CHEMBL3770032)
Show SMILES CC1Oc2ccccc2C2CC(=NN2C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23BrN6O5S/c24-15-7-10-20(27-13-15)30-21(31)11-18(29-22(32)12-25)23(33)28-16-8-5-14(6-9-16)17-3-1-2-4-19(17)36(26,34)35/h1-10,13,18H,11-12,25H2,(H,28,33)(H,29,32)(H2,26,34,35)(H,27,30,31)
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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
Phospholipase A2, membrane associated


(Homo sapiens (Human))
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 143n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 2A secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


Article DOI: 10.1016/j.bmc.2016.02.040
BindingDB Entry DOI: 10.7270/Q2JQ12WP
More data for this
Ligand-Target Pair
Secretory phospholipase A2, group V (sPLA2-V)


(Homo sapiens (Human))
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 1.20E+3n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of human group 5 secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


Article DOI: 10.1016/j.bmc.2016.02.040
BindingDB Entry DOI: 10.7270/Q2JQ12WP
More data for this
Ligand-Target Pair
Phospholipase A2, membrane associated


(Mus musculus)
BDBM50149981
PNG
(CHEMBL3769794)
Show SMILES CCCCCCCCCCCCCCC(=O)C(=O)N[C@@H](C(C)C)C(O)=O
Show InChI InChI=1S/C23H22BrN5O5S/c1-26-23(32)18(12-21(30)29-20-11-10-16(24)13-27-20)28-22(31)15-8-6-14(7-9-15)17-4-2-3-5-19(17)35(25,33)34/h2-11,13,18H,12H2,1H3,(H,26,32)(H,28,31)(H2,25,33,34)(H,27,29,30)
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n/an/a 68n/an/an/an/an/an/a



National and Kapodistrian University of Athens

Curated by ChEMBL


Assay Description
Inhibition of mouse group 2A secreted phospholipase A2 by fluorescence assay


Bioorg Med Chem 24: 1683-95 (2016)


Article DOI: 10.1016/j.bmc.2016.02.040
BindingDB Entry DOI: 10.7270/Q2JQ12WP
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149984
PNG
(CHEMBL3769593)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(O[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C26H27BrN6O5S/c27-19-9-10-23(30-16-19)32-24(34)15-21(26(36)33-13-11-29-12-14-33)31-25(35)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,37)38/h1-10,16,21,29H,11-15H2,(H,31,35)(H2,28,37,38)(H,30,32,34)
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n/an/a 40n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149986
PNG
(CHEMBL3770889)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H27BrN6O5S/c1-32(2)15-24(34)30-20(13-23(33)31-22-12-9-17(26)14-28-22)25(35)29-18-10-7-16(8-11-18)19-5-3-4-6-21(19)38(27,36)37/h3-12,14,20H,13,15H2,1-2H3,(H,29,35)(H,30,34)(H2,27,36,37)(H,28,31,33)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149988
PNG
(CHEMBL3770945)
Show SMILES O=C(Cc1ccccc1)Nc1nnc(OC[C@H]2CCN(C2)c2nnc(NC(=O)Cc3ccccc3)s2)s1
Show InChI InChI=1S/C25H27BrN6O5S/c1-28-12-13-29-25(35)20(14-23(33)32-22-11-10-18(26)15-30-22)31-24(34)17-8-6-16(7-9-17)19-4-2-3-5-21(19)38(27,36)37/h2-11,15,20,28H,12-14H2,1H3,(H,29,35)(H,31,34)(H2,27,36,37)(H,30,32,33)
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n/an/a 30n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50149992
PNG
(CHEMBL3769897)
Show SMILES O=C(CC1CC1)Nc1nnc(OC2CCN(CC2)c2nnc(NC(=O)CC3CC3)s2)s1
Show InChI InChI=1S/C23H22BrN5O5S/c1-14(30)28-19(23(32)29-21-11-10-17(24)12-26-21)13-27-22(31)16-8-6-15(7-9-16)18-4-2-3-5-20(18)35(25,33)34/h2-12,19H,13H2,1H3,(H,27,31)(H,28,30)(H2,25,33,34)(H,26,29,32)
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n/an/a 157n/an/an/an/an/an/a



University of Pittsburgh

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIs-tagged human GAC (residue 72-603 aa) expressed in Escherichia coli after 10 mins using glutamine as substrate


Bioorg Med Chem 24: 1819-39 (2016)


Article DOI: 10.1016/j.bmc.2016.03.009
BindingDB Entry DOI: 10.7270/Q2DZ0B5C
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149914
PNG
(CHEMBL3770030)
Show SMILES O=c1[nH]c(Oc2cnn(Cc3cccnc3)c2)nc2cnccc12
Show InChI InChI=1S/C28H24BrN5O5S/c29-20-14-15-25(31-17-20)34-26(35)16-23(28(37)32-21-6-2-1-3-7-21)33-27(36)19-12-10-18(11-13-19)22-8-4-5-9-24(22)40(30,38)39/h1-15,17,23H,16H2,(H,32,37)(H,33,36)(H2,30,38,39)(H,31,34,35)
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n/an/a 1.26E+4n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149934
PNG
(CHEMBL3770812)
Show SMILES CCSc1nc2cnccc2c(=O)[nH]1
Show InChI InChI=1S/C26H26BrN5O6S/c27-19-9-10-23(29-16-19)31-24(33)15-21(26(35)32-11-13-38-14-12-32)30-25(34)18-7-5-17(6-8-18)20-3-1-2-4-22(20)39(28,36)37/h1-10,16,21H,11-15H2,(H,30,34)(H2,28,36,37)(H,29,31,33)
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n/an/a<1.00E+5n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149915
PNG
(CHEMBL3769669)
Show SMILES COc1cccc(Cn2cc(Oc3nc4cnccc4c(=O)[nH]3)cn2)c1
Show InChI InChI=1S/C27H23BrN6O5S/c28-19-7-10-24(31-16-19)34-25(35)15-22(33-26(36)18-11-13-30-14-12-18)27(37)32-20-8-5-17(6-9-20)21-3-1-2-4-23(21)40(29,38)39/h1-14,16,22H,15H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged full-length human KDM4C transfected in U2OS cells assessed as inhibition of H3K9Me3 demethylation for 24 hrs


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair
Lysine-specific demethylase 4C


(Homo sapiens (Human))
BDBM50149915
PNG
(CHEMBL3769669)
Show SMILES COc1cccc(Cn2cc(Oc3nc4cnccc4c(=O)[nH]3)cn2)c1
Show InChI InChI=1S/C27H23BrN6O5S/c28-19-7-10-24(31-16-19)34-25(35)15-22(33-26(36)18-11-13-30-14-12-18)27(37)32-20-8-5-17(6-9-20)21-3-1-2-4-23(21)40(29,38)39/h1-14,16,22H,15H2,(H,32,37)(H,33,36)(H2,29,38,39)(H,31,34,35)
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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Inhibition of N-terminal his-tagged human KDM4C expressed in Escherichia coli BL21(DE3) using trimethylated peptide substrate by RFMS assay


J Med Chem 59: 1370-87 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01538
BindingDB Entry DOI: 10.7270/Q26D5VV2
More data for this
Ligand-Target Pair