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Compile Data Set for Download or QSAR

Found 963 hits with Last Name = 'joo' and Initial = 'h'   
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
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50506039
PNG
(CHEMBL1324296 | US11891386, Compound 002)
Show SMILES COC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H10N2O3S/c1-19-14(18)11-7-20-13(16-11)12(17)9-6-15-10-5-3-2-4-8(9)10/h2-7,15H,1H3
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10n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605060
PNG
(CHEMBL5198290 | US11891386, Compound 004)
Show SMILES CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
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88n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190499
PNG
(CHEMBL3827985)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H18ClN3OS/c1-21(2)15-9-7-13(8-10-15)11-17-18(24)23(19(25)22(17)3)16-6-4-5-14(20)12-16/h4-12H,1-3H3/b17-11-
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350n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor


(Mus musculus (Mouse))
BDBM50605061
PNG
(CHEMBL5179114)
Show SMILES COc1ccc(Cn2cc(C(=O)c3nccs3)c3ccccc23)cc1
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800n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI: 10.7270/Q27D3076
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190499
PNG
(CHEMBL3827985)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H18ClN3OS/c1-21(2)15-9-7-13(8-10-15)11-17-18(24)23(19(25)22(17)3)16-6-4-5-14(20)12-16/h4-12H,1-3H3/b17-11-
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840n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190343
PNG
(CHEMBL3827795)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H19N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h4-13H,1-3H3/b17-13-
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880n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190331
PNG
(CHEMBL3828176)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C20H21N3OS/c1-14-5-9-17(10-6-14)23-19(24)18(22(4)20(23)25)13-15-7-11-16(12-8-15)21(2)3/h5-13H,1-4H3/b18-13-
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1.02E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190390
PNG
(CHEMBL3828444)
Show SMILES Oc1cc(nn1-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-10,18H
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1.45E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190343
PNG
(CHEMBL3827795)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C19H19N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h4-13H,1-3H3/b17-13-
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1.95E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190331
PNG
(CHEMBL3828176)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C20H21N3OS/c1-14-5-9-17(10-6-14)23-19(24)18(22(4)20(23)25)13-15-7-11-16(12-8-15)21(2)3/h5-13H,1-4H3/b18-13-
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2.33E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190497
PNG
(CHEMBL3827227)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1
Show InChI InChI=1S/C20H18N2O3S/c1-21-16(11-14-6-3-7-17(23)18(14)24)19(25)22(20(21)26)15-9-8-12-4-2-5-13(12)10-15/h3,6-11,23-24H,2,4-5H2,1H3/b16-11-
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2.36E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190330
PNG
(CHEMBL3828737)
Show SMILES CCc1ccc(cc1)N1C(=O)\C(=C\c2ccc(O)cc2O)N(C)C1=S
Show InChI InChI=1S/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)21-18(24)16(20(2)19(21)25)10-13-6-9-15(22)11-17(13)23/h4-11,22-23H,3H2,1-2H3/b16-10-
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2.39E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190328
PNG
(CHEMBL3827342)
Show SMILES CCc1ccc(cc1)N1C(=S)N(C)\C(=C/c2ccc(cc2)N(C)C)C1=O
Show InChI InChI=1S/C21H23N3OS/c1-5-15-6-12-18(13-7-15)24-20(25)19(23(4)21(24)26)14-16-8-10-17(11-9-16)22(2)3/h6-14H,5H2,1-4H3/b19-14-
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2.63E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190390
PNG
(CHEMBL3828444)
Show SMILES Oc1cc(nn1-c1ccccn1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O/c18-14-10-12(11-6-2-1-3-7-11)16-17(14)13-8-4-5-9-15-13/h1-10,18H
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3.12E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190328
PNG
(CHEMBL3827342)
Show SMILES CCc1ccc(cc1)N1C(=S)N(C)\C(=C/c2ccc(cc2)N(C)C)C1=O
Show InChI InChI=1S/C21H23N3OS/c1-5-15-6-12-18(13-7-15)24-20(25)19(23(4)21(24)26)14-16-8-10-17(11-9-16)22(2)3/h6-14H,5H2,1-4H3/b19-14-
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4.39E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190347
PNG
(CHEMBL3827481)
Show SMILES CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1cccc(O)c1O
Show InChI InChI=1S/C17H20N2O3S/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h5-6,9-10,12,20-21H,2-4,7-8H2,1H3/b13-10-
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6.35E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190498
PNG
(CHEMBL3827096)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc2CCCc2c1
Show InChI InChI=1S/C20H18N2O3S/c1-21-17(10-14-6-8-16(23)11-18(14)24)19(25)22(20(21)26)15-7-5-12-3-2-4-13(12)9-15/h5-11,23-24H,2-4H2,1H3/b17-10-
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6.58E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190497
PNG
(CHEMBL3827227)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc2CCCc2c1
Show InChI InChI=1S/C20H18N2O3S/c1-21-16(11-14-6-3-7-17(23)18(14)24)19(25)22(20(21)26)15-9-8-12-4-2-5-13(12)10-15/h3,6-11,23-24H,2,4-5H2,1H3/b16-11-
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6.63E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190498
PNG
(CHEMBL3827096)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc2CCCc2c1
Show InChI InChI=1S/C20H18N2O3S/c1-21-17(10-14-6-8-16(23)11-18(14)24)19(25)22(20(21)26)15-7-5-12-3-2-4-13(12)9-15/h5-11,23-24H,2-4H2,1H3/b17-10-
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6.83E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190347
PNG
(CHEMBL3827481)
Show SMILES CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1cccc(O)c1O
Show InChI InChI=1S/C17H20N2O3S/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h5-6,9-10,12,20-21H,2-4,7-8H2,1H3/b13-10-
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7.39E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190503
PNG
(CHEMBL3827569)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S/c1-19-13(8-10-4-2-7-14(21)15(10)22)16(23)20(17(19)24)12-6-3-5-11(18)9-12/h2-9,21-22H,1H3/b13-8-
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7.65E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190391
PNG
(CHEMBL3826995)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C22H23N3OS/c1-23(2)18-10-7-15(8-11-18)13-20-21(26)25(22(27)24(20)3)19-12-9-16-5-4-6-17(16)14-19/h7-14H,4-6H2,1-3H3/b20-13-
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8.04E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190330
PNG
(CHEMBL3828737)
Show SMILES CCc1ccc(cc1)N1C(=O)\C(=C\c2ccc(O)cc2O)N(C)C1=S
Show InChI InChI=1S/C19H18N2O3S/c1-3-12-4-7-14(8-5-12)21-18(24)16(20(2)19(21)25)10-13-6-9-15(22)11-17(13)23/h4-11,22-23H,3H2,1-2H3/b16-10-
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8.40E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190503
PNG
(CHEMBL3827569)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S/c1-19-13(8-10-4-2-7-14(21)15(10)22)16(23)20(17(19)24)12-6-3-5-11(18)9-12/h2-9,21-22H,1H3/b13-8-
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9.31E+3n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190346
PNG
(CHEMBL3827497)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H25N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3/b17-13-
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1.23E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190391
PNG
(CHEMBL3826995)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C2=O)c2ccc3CCCc3c2)cc1
Show InChI InChI=1S/C22H23N3OS/c1-23(2)18-10-7-15(8-11-18)13-20-21(26)25(22(27)24(20)3)19-12-9-16-5-4-6-17(16)14-19/h7-14H,4-6H2,1-3H3/b20-13-
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1.31E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190344
PNG
(CHEMBL3828498)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h2-10,20-21H,1H3/b13-10-
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2.40E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190348
PNG
(CHEMBL3827421)
Show SMILES CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1ccc(O)cc1O
Show InChI InChI=1S/C17H20N2O3S/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h7-10,12,20-21H,2-6H2,1H3/b14-9-
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2.60E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190329
PNG
(CHEMBL3827065)
Show SMILES CCc1ccc(cc1)N1C(=O)\C(=C\c2cccc(O)c2O)N(C)C1=S
Show InChI InChI=1S/C19H18N2O3S/c1-3-12-7-9-14(10-8-12)21-18(24)15(20(2)19(21)25)11-13-5-4-6-16(22)17(13)23/h4-11,22-23H,3H2,1-2H3/b15-11-
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2.64E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190341
PNG
(CHEMBL3827688)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-11-6-8-13(9-7-11)20-17(23)14(19(2)18(20)24)10-12-4-3-5-15(21)16(12)22/h3-10,21-22H,1-2H3/b14-10-
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2.70E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190342
PNG
(CHEMBL3828713)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-11-3-6-13(7-4-11)20-17(23)15(19(2)18(20)24)9-12-5-8-14(21)10-16(12)22/h3-10,21-22H,1-2H3/b15-9-
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2.71E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190345
PNG
(CHEMBL3827574)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h2-10,20-21H,1H3/b14-9-
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2.77E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190329
PNG
(CHEMBL3827065)
Show SMILES CCc1ccc(cc1)N1C(=O)\C(=C\c2cccc(O)c2O)N(C)C1=S
Show InChI InChI=1S/C19H18N2O3S/c1-3-12-7-9-14(10-8-12)21-18(24)15(20(2)19(21)25)11-13-5-4-6-16(22)17(13)23/h4-11,22-23H,3H2,1-2H3/b15-11-
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2.79E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190345
PNG
(CHEMBL3827574)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h2-10,20-21H,1H3/b14-9-
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3.38E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190327
PNG
(CHEMBL3828285)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S/c1-19-14(7-10-5-6-13(21)9-15(10)22)16(23)20(17(19)24)12-4-2-3-11(18)8-12/h2-9,21-22H,1H3/b14-7-
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3.38E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190327
PNG
(CHEMBL3828285)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1cccc(Cl)c1
Show InChI InChI=1S/C17H13ClN2O3S/c1-19-14(7-10-5-6-13(21)9-15(10)22)16(23)20(17(19)24)12-4-2-3-11(18)8-12/h2-9,21-22H,1H3/b14-7-
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3.45E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190342
PNG
(CHEMBL3828713)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1ccc(O)cc1O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-11-3-6-13(7-4-11)20-17(23)15(19(2)18(20)24)9-12-5-8-14(21)10-16(12)22/h3-10,21-22H,1-2H3/b15-9-
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3.46E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190346
PNG
(CHEMBL3827497)
Show SMILES CN(C)c1ccc(\C=C2/N(C)C(=S)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C19H25N3OS/c1-20(2)15-11-9-14(10-12-15)13-17-18(23)22(19(24)21(17)3)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3/b17-13-
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3.56E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 4


(Homo sapiens (Human))
BDBM50190348
PNG
(CHEMBL3827421)
Show SMILES CN1C(=S)N(C2CCCCC2)C(=O)\C1=C\c1ccc(O)cc1O
Show InChI InChI=1S/C17H20N2O3S/c1-18-14(9-11-7-8-13(20)10-15(11)21)16(22)19(17(18)23)12-5-3-2-4-6-12/h7-10,12,20-21H,2-6H2,1H3/b14-9-
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3.76E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX4 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190344
PNG
(CHEMBL3828498)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccccc1
Show InChI InChI=1S/C17H14N2O3S/c1-18-13(10-11-6-5-9-14(20)15(11)21)16(22)19(17(18)23)12-7-3-2-4-8-12/h2-10,20-21H,1H3/b13-10-
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4.97E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
NADPH oxidase 1


(Homo sapiens (Human))
BDBM50190341
PNG
(CHEMBL3827688)
Show SMILES CN1C(=S)N(C(=O)\C1=C\c1cccc(O)c1O)c1ccc(C)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-11-6-8-13(9-7-11)20-17(23)14(19(2)18(20)24)10-12-4-3-5-15(21)16(12)22/h3-10,21-22H,1-2H3/b14-10-
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5.03E+4n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of human NOX1 expressed in Drosophila DUOX knockdown model assessed as decrease in ROS production by lucigenin chemiluminescence assay


Bioorg Med Chem 24: 4144-4151 (2016)


Article DOI: 10.1016/j.bmc.2016.06.056
BindingDB Entry DOI: 10.7270/Q2XK8HHT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473585
PNG
(US10844062, Example 21)
Show SMILES CC(C)(C#N)c1cccc(c1)C(=O)Nc1cc(Nc2ncccc2-c2ncnc3[nH]cnc23)ccc1F
Show InChI InChI=1S/C27H21FN8O/c1-27(2,13-29)17-6-3-5-16(11-17)26(37)36-21-12-18(8-9-20(21)28)35-24-19(7-4-10-30-24)22-23-25(33-14-31-22)34-15-32-23/h3-12,14-15H,1-2H3,(H,30,35)(H,36,37)(H,31,32,33,34)
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US Patent
n/an/a 4.10n/an/an/an/an/an/a



Incheon University Industry Academic Cooperation Foundation; Samjin Pharmaceutical Co., Ltd.; Bamichem Co., Ltd.

US Patent


Assay Description
The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo™ kinase assay kit com...


US Patent US10844062 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TRN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624845
PNG
(US20230322706, Example 29)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)C(C)(C)c2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 6.70n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624843
PNG
(US20230322706, Example 27 | US20230322706, Example...)
Show SMILES CCOc1cccnc1Oc1cccc(c1)-c1cncc(NC(=O)Cc2ccc(CC(C)(C)C(O)=O)cc2)n1
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n/an/a 7.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Rattus norvegicus (rat))
BDBM50170264
PNG
(CHEMBL361931 | N-{4-[3-(4-tert-Butyl-benzyl)-thiou...)
Show SMILES CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(Cl)c2)cc1
Show InChI InChI=1S/C20H26ClN3O2S2/c1-20(2,3)16-8-5-14(6-9-16)12-22-19(27)23-13-15-7-10-18(17(21)11-15)24-28(4,25)26/h5-11,24H,12-13H2,1-4H3,(H2,22,23,27)
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Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibitory effect on capsaicin (0.5 uM)-induced calcium uptake in rat DRG neurons upon incubation at RT for 10 minutes


J Med Chem 48: 5823-36 (2005)


Article DOI: 10.1021/jm0502790
BindingDB Entry DOI: 10.7270/Q2057FGN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473613
PNG
(US10844062, Example 49)
Show SMILES CC(C)(C#N)c1cccc(c1)C(=O)Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1
Show InChI InChI=1S/C27H21FN8O/c1-27(2,13-29)17-6-3-5-16(11-17)26(37)35-18-8-9-20(28)21(12-18)36-24-19(7-4-10-30-24)22-23-25(33-14-31-22)34-15-32-23/h3-12,14-15H,1-2H3,(H,30,36)(H,35,37)(H,31,32,33,34)
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US Patent
n/an/a 10n/an/an/an/an/an/a



Incheon University Industry Academic Cooperation Foundation; Samjin Pharmaceutical Co., Ltd.; Bamichem Co., Ltd.

US Patent


Assay Description
The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo™ kinase assay kit com...


US Patent US10844062 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TRN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473594
PNG
(US10844062, Example 30)
Show SMILES Fc1ccc(Nc2ncccc2-c2ncnc3[nH]cnc23)cc1NC(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C24H15F4N7O/c25-17-7-6-15(10-18(17)35-23(36)13-3-1-4-14(9-13)24(26,27)28)34-21-16(5-2-8-29-21)19-20-22(32-11-30-19)33-12-31-20/h1-12H,(H,29,34)(H,35,36)(H,30,31,32,33)
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n/an/a 11n/an/an/an/an/an/a



Incheon University Industry Academic Cooperation Foundation; Samjin Pharmaceutical Co., Ltd.; Bamichem Co., Ltd.

US Patent


Assay Description
The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo™ kinase assay kit com...


US Patent US10844062 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TRN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473190
PNG
(US10844062, Example 1)
Show SMILES Fc1ccc(NC(=O)c2cccc(c2)C(F)(F)F)c(F)c1Nc1ncccc1-c1ncnc2[nH]cnc12
Show InChI InChI=1S/C24H14F5N7O/c25-15-6-7-16(35-23(37)12-3-1-4-13(9-12)24(27,28)29)17(26)19(15)36-21-14(5-2-8-30-21)18-20-22(33-10-31-18)34-11-32-20/h1-11H,(H,30,36)(H,35,37)(H,31,32,33,34)
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n/an/a 11n/an/an/an/an/an/a



Incheon University Industry Academic Cooperation Foundation; Samjin Pharmaceutical Co., Ltd.; Bamichem Co., Ltd.

US Patent


Assay Description
The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo™ kinase assay kit com...


US Patent US10844062 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TRN
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM624819
PNG
(US20230322706, Example 5)
Show SMILES CCOc1ccccc1Oc1cncc(c1)-c1cncc(NC(=O)CCc2ccc(cc2)C(C)(C)C(=O)OC)n1
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Citation and Details
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM473640
PNG
(US10844062, Example 76)
Show SMILES Fc1ccc(Nc2ncccc2-c2ncnc3[nH]cnc23)cc1NC(=O)Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C25H17F4N7O/c26-18-7-6-16(11-19(18)36-20(37)10-14-3-1-4-15(9-14)25(27,28)29)35-23-17(5-2-8-30-23)21-22-24(33-12-31-21)34-13-32-22/h1-9,11-13H,10H2,(H,30,35)(H,36,37)(H,31,32,33,34)
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n/an/a 11n/an/an/an/an/an/a



Incheon University Industry Academic Cooperation Foundation; Samjin Pharmaceutical Co., Ltd.; Bamichem Co., Ltd.

US Patent


Assay Description
The inhibitory activities of the compounds of the present invention against VEGFR-2 tyrosine kinase were analyzed using ADP-Glo™ kinase assay kit com...


US Patent US10844062 (2020)


BindingDB Entry DOI: 10.7270/Q2NG4TRN
More data for this
Ligand-Target Pair
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