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7 similar compounds to monomer 50088494

Compile data set for download or QSAR
Wt: 400.3
BDBM50088497
Wt: 451.4
BDBM50088518
Wt: 518.6
BDBM50088520
Purchase
Wt: 440.5
BDBM50088526
Wt: 387.8
BDBM50079198
Wt: 399.4
BDBM50088531
Wt: 307.3
BDBM50088536

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50088497,50088518,50088520,50088526,50079198,50088531,50088536   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50079198
PNG
(CHEMBL3416674)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1Cl
Show InChI InChI=1S/C21H22ClNO4/c1-23(2)9-4-10-26-16-6-5-14(18(22)12-16)11-20-21(24)17-8-7-15(25-3)13-19(17)27-20/h5-8,11-13H,4,9-10H2,1-3H3/b20-11-
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n/an/a 1.51E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE incubated for 15 mins using acetylcholine iodide substrate by colorimetric Ellman's method


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens (Human))
BDBM50088531
PNG
(CHEMBL3576943 | US10189805, Compound 19)
Show SMILES N[C@@H](CCC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C17H25N3O6S/c18-15(17(22)23)5-6-16(21)19-11-13-3-1-2-4-14(13)12-27(24,25)20-7-9-26-10-8-20/h1-4,15H,5-12,18H2,(H,19,21)(H,22,23)/t15-/m0/s1
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n/an/a 6.77E+5n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The glutamine uptake assays in HEK293 cells were carried out in 96 well plates (CulturPlate-96, Perkin Elmer). Cells were plated at a density of 35,0...


US Patent US10189805 (2019)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50088497
PNG
(CHEMBL3526543)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(cc4c3F)C(O)=O)c2c1C
Show InChI InChI=1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR-2


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50088497
PNG
(CHEMBL3526543)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(cc4c3F)C(O)=O)c2c1C
Show InChI InChI=1S/C19H17FN4O5/c1-9(25)7-28-15-6-24-17(10(15)2)18(21-8-22-24)29-14-4-3-12-11(16(14)20)5-13(23-12)19(26)27/h3-6,8-9,23,25H,7H2,1-2H3,(H,26,27)/t9-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR-1


Drug Metab Dispos 39: 891-903 (2011)


Article DOI: 10.1124/dmd.110.037341
BindingDB Entry DOI: 10.7270/Q2F191FN
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50088518
PNG
(CHEMBL3526576)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CO)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O7S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)20-18-19-17(16(10-22)29-18)11-4-3-5-12(8-11)21(23)24/h3-9,22H,10H2,1-2H3,(H,19,20)
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n/an/a 3.90E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50088518
PNG
(CHEMBL3526576)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CO)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O7S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)20-18-19-17(16(10-22)29-18)11-4-3-5-12(8-11)21(23)24/h3-9,22H,10H2,1-2H3,(H,19,20)
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n/an/a 2.20E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS a...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Mus musculus)
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of C57BL/6J mouse KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS a...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of human KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analysis


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50088518
PNG
(CHEMBL3526576)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CO)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C18H17N3O7S2/c1-27-14-7-6-13(9-15(14)28-2)30(25,26)20-18-19-17(16(10-22)29-18)11-4-3-5-12(8-11)21(23)24/h3-9,22H,10H2,1-2H3,(H,19,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Rattus norvegicus)
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
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n/an/a 7.10E+3n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of Wistar rat KMO assessed as 3-hydroxykynurenine formation preincubated for 5 mins using 100 uM kynurenine as substrate by LC-MS/MS analy...


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Kynurenine 3-monooxygenase


(Homo sapiens (Human))
BDBM50088520
PNG
(CHEMBL3526575)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1nc(c(CN2CCCCC2)s1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C23H26N4O6S2/c1-32-19-10-9-18(14-20(19)33-2)35(30,31)25-23-24-22(16-7-6-8-17(13-16)27(28)29)21(34-23)15-26-11-4-3-5-12-26/h6-10,13-14H,3-5,11-12,15H2,1-2H3,(H,24,25)
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n/an/a 4.00E+3n/an/an/an/an/an/a



CHDI Management/CHDI Foundation

Curated by ChEMBL


Assay Description
Inhibition of KMO (unknown origin)


Drug Metab Dispos 40: 2297-306 (2012)


Article DOI: 10.1124/dmd.112.046532
BindingDB Entry DOI: 10.7270/Q2WW7KDQ
More data for this
Ligand-Target Pair
Microtubule-associated protein 2


(Homo sapiens (Human))
BDBM50088526
PNG
(CHEMBL3527591)
Show SMILES CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)N[C@@H](C(N)=O)C(C)(C)O
Show InChI InChI=1S/C22H36N2O7/c1-12(2)7-8-14-21(5,31-14)16-15(28-6)13(9-10-22(16)11-29-22)30-19(26)24-17(18(23)25)20(3,4)27/h7,13-17,27H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t13-,14-,15-,16-,17+,21+,22+/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of MetAP2 activity in HUVEC assessed as inhibition of cell proliferation by MTT assay


Drug Metab Dispos 41: 814-26 (2013)


Article DOI: 10.1124/dmd.112.048355
BindingDB Entry DOI: 10.7270/Q2NC62XH
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens (Human))
BDBM50088536
PNG
(CHEMBL3576927 | US10189805, Compound 3)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1N1CCOCC1)C(O)=O
Show InChI InChI=1S/C15H21N3O4/c16-11(15(20)21)5-6-14(19)17-12-3-1-2-4-13(12)18-7-9-22-10-8-18/h1-4,11H,5-10,16H2,(H,17,19)(H,20,21)/t11-/m0/s1
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n/an/a 6.64E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated [3H]glutamine uptake in HEK293 cells after 15 mins by Live-cell glutamine uptake assay


Bioorg Med Chem Lett 25: 113-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.098
BindingDB Entry DOI: 10.7270/Q2CZ38X7
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens (Human))
BDBM50088531
PNG
(CHEMBL3576943 | US10189805, Compound 19)
Show SMILES N[C@@H](CCC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C(O)=O
Show InChI InChI=1S/C17H25N3O6S/c18-15(17(22)23)5-6-16(21)19-11-13-3-1-2-4-14(13)12-27(24,25)20-7-9-26-10-8-20/h1-4,15H,5-12,18H2,(H,19,21)(H,22,23)/t15-/m0/s1
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n/an/a 6.77E+5n/an/an/an/an/an/a



Vanderbilt University Institute of Imaging Science (VUIIS)

Curated by ChEMBL


Assay Description
Inhibition of ASCT2-mediated [3H]glutamine uptake in HEK293 cells after 15 mins by Live-cell glutamine uptake assay


Bioorg Med Chem Lett 25: 113-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.098
BindingDB Entry DOI: 10.7270/Q2CZ38X7
More data for this
Ligand-Target Pair
Neutral amino acid transporter B(0)


(Homo sapiens (Human))
BDBM50088536
PNG
(CHEMBL3576927 | US10189805, Compound 3)
Show SMILES N[C@@H](CCC(=O)Nc1ccccc1N1CCOCC1)C(O)=O
Show InChI InChI=1S/C15H21N3O4/c16-11(15(20)21)5-6-14(19)17-12-3-1-2-4-13(12)18-7-9-22-10-8-18/h1-4,11H,5-10,16H2,(H,17,19)(H,20,21)/t11-/m0/s1
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n/an/a 6.64E+5n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
The glutamine uptake assays in HEK293 cells were carried out in 96 well plates (CulturPlate-96, Perkin Elmer). Cells were plated at a density of 35,0...


US Patent US10189805 (2019)

More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50079198
PNG
(CHEMBL3416674)
Show SMILES COc1ccc2C(=O)\C(Oc2c1)=C\c1ccc(OCCCN(C)C)cc1Cl
Show InChI InChI=1S/C21H22ClNO4/c1-23(2)9-4-10-26-16-6-5-14(18(22)12-16)11-20-21(24)17-8-7-15(25-3)13-19(17)27-20/h5-8,11-13H,4,9-10H2,1-3H3/b20-11-
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n/an/a 3.41E+4n/an/an/an/an/an/a



Universiti Sains Malaysia

Curated by ChEMBL


Assay Description
Inhibition of equine serum butyrylcholine esterase incubated for 15 mins using S-butyrylthiocholine chloride substrate by colorimetric Ellman's metho...


Eur J Med Chem 94: 195-210 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.055
BindingDB Entry DOI: 10.7270/Q2959K85
More data for this
Ligand-Target Pair