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Compile Data Set for Download or QSAR

Found 1951 hits with Last Name = 'kim' and Initial = 'je'   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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65n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345738
PNG
(1-isopropyl-3-(naphthalen-2-yl)-1H-pyrazolo[3,4-d]...)
Show SMILES CC(C)n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C18H17N5/c1-11(2)23-18-15(17(19)20-10-21-18)16(22-23)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,19,20,21)
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69n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345742
PNG
(1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
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200n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
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200n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383382
PNG
(CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)
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280n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345735
PNG
(1-isopropyl-3-(4-methoxy-3-methylphenyl)-1H-pyrazo...)
Show SMILES COc1ccc(cc1C)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C16H19N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)11-5-6-12(22-4)10(3)7-11/h5-9H,1-4H3,(H2,17,18,19)
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650n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
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750n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50345739
PNG
(1-isopropyl-3-(6-methoxynaphthalen-2-yl)-1H-pyrazo...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C19H19N5O/c1-11(2)24-19-16(18(20)21-10-22-19)17(23-24)14-5-4-13-9-15(25-3)7-6-12(13)8-14/h4-11H,1-3H3,(H2,20,21,22)
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770n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445969
PNG
(US10669246, Example 22 | US10968188, Example 22)
Show SMILES Cc1c(O)cccc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-11(3-2-4-15(9)22)10-5-6-14-16(7-10)24-18(20-14)21-17(23)12-8-13(12)19/h2-7,12-13,22H,8H2,1H3,(H,20,21,23)/t12-,13+/m1/s1
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US Patent
1.02E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383382
PNG
(CHEMBL2030556 | CHEMBL2069948 | US10172858, Table ...)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)cccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6/c1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-10(17)4-3-5-11(9)21-12/h3-8,21H,1-2H3,(H2,18,19,20)
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1.24E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445962
PNG
(US10669246, Example 14 | US10968188, Example 14)
Show SMILES Cc1ccc(O)cc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H15FN2O2S/c1-9-2-4-11(22)7-12(9)10-3-5-15-16(6-10)24-18(20-15)21-17(23)13-8-14(13)19/h2-7,13-14,22H,8H2,1H3,(H,20,21,23)/t13-,14+/m1/s1
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1.34E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345740
PNG
(3-(6-ethoxynaphthalen-2-yl)-1-isopropyl-1H-pyrazol...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C20H21N5O/c1-4-26-16-8-7-13-9-15(6-5-14(13)10-16)18-17-19(21)22-11-23-20(17)25(24-18)12(2)3/h5-12H,4H2,1-3H3,(H2,21,22,23)
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1.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50345742
PNG
(1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]py...)
Show SMILES CC(C)n1nc(-c2cnc3ccccc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-7-11-5-3-4-6-13(11)19-8-12/h3-10H,1-2H3,(H2,18,20,21)
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1.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445956
PNG
(US10669246, Example 8 | US10968188, Example 8)
Show SMILES Cc1c(F)cncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H13F2N3OS/c1-8-11(6-20-7-13(8)19)9-2-3-14-15(4-9)24-17(21-14)22-16(23)10-5-12(10)18/h2-4,6-7,10,12H,5H2,1H3,(H,21,22,23)/t10-,12+/m1/s1
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3.13E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445951
PNG
(US10669246, Example 3 | US10968188, Example 3)
Show SMILES Cc1cccc(C)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C19H17FN2OS/c1-10-4-3-5-11(2)17(10)12-6-7-15-16(8-12)24-19(21-15)22-18(23)13-9-14(13)20/h3-8,13-14H,9H2,1-2H3,(H,21,22,23)/t13-,14+/m1/s1
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3.85E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445950
PNG
(US10669246, Example 2 | US10968188, Example 2)
Show SMILES Cc1cccc(Cl)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H14ClFN2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1
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4.02E+3n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
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4.60E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383376
PNG
(CHEMBL2030558 | CHEMBL2069945 | US10544104, Compou...)
Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)
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5.50E+3n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383379
PNG
(CHEMBL2030552 | CHEMBL2069958 | US9518026, Example...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3ccc4ccccc4c3)c12
Show InChI InChI=1S/C21H22N6/c22-20-18-19(17-6-5-15-3-1-2-4-16(15)11-17)26-27(21(18)25-13-24-20)12-14-7-9-23-10-8-14/h1-6,11,13-14,23H,7-10,12H2,(H2,22,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383378
PNG
(CHEMBL2030561)
Show SMILES Nc1nc2ccc(cc2n1CC1CCNCC1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H22N4O/c21-20-23-17-7-6-16(19(25)15-4-2-1-3-5-15)12-18(17)24(20)13-14-8-10-22-11-9-14/h1-7,12,14,22H,8-11,13H2,(H2,21,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383377
PNG
(CHEMBL2030560 | US10544104, Compound 92 | US976503...)
Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
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1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383377
PNG
(CHEMBL2030560 | US10544104, Compound 92 | US976503...)
Show SMILES Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H11N3O/c15-14-16-11-7-6-10(8-12(11)17-14)13(18)9-4-2-1-3-5-9/h1-8H,(H3,15,16,17)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50180753
PNG
((5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383375
PNG
(CHEMBL2030559 | CHEMBL2069937 | US10544104, Compou...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12
Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383376
PNG
(CHEMBL2030558 | CHEMBL2069945 | US10544104, Compou...)
Show SMILES COc1ccc(cc1C)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H24N6O/c1-12-9-14(3-4-15(12)26-2)17-16-18(20)22-11-23-19(16)25(24-17)10-13-5-7-21-8-6-13/h3-4,9,11,13,21H,5-8,10H2,1-2H3,(H2,20,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383375
PNG
(CHEMBL2030559 | CHEMBL2069937 | US10544104, Compou...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)ncc12
Show InChI InChI=1S/C11H16N6/c12-10-9-5-16-17(11(9)15-7-14-10)6-8-1-3-13-4-2-8/h5,7-8,13H,1-4,6H2,(H2,12,14,15)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445971
PNG
(US10669246, Example 24 | US10968188, Example 24)
Show SMILES Cc1ccc2NCCc2c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C20H18FN3OS/c1-10-2-4-15-12(6-7-22-15)18(10)11-3-5-16-17(8-11)26-20(23-16)24-19(25)13-9-14(13)21/h2-5,8,13-14,22H,6-7,9H2,1H3,(H,23,24,25)/t13-,14+/m1/s1
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US Patent
>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445983
PNG
(US10669246, Example 36 | US10968188, Example 36)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)C3CC3(F)F)sc2c1
Show InChI InChI=1S/C17H13F2N3OS/c1-9-4-5-20-8-11(9)10-2-3-13-14(6-10)24-16(21-13)22-15(23)12-7-17(12,18)19/h2-6,8,12H,7H2,1H3,(H,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445964
PNG
(US10669246, Example 17 | US10968188, Example 17)
Show SMILES CC(=C)c1ccc(C)c(c1)-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C21H19FN2OS/c1-11(2)13-5-4-12(3)15(8-13)14-6-7-18-19(9-14)26-21(23-18)24-20(25)16-10-17(16)22/h4-9,16-17H,1,10H2,2-3H3,(H,23,24,25)/t16-,17+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM490086
PNG
(US10968188, Example 12)
Show SMILES Cc1ccnc(C)c1-c1ccc2nc(NC(=O)C3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H16FN3OS/c1-9-5-6-20-10(2)16(9)11-3-4-14-15(7-11)24-18(21-14)22-17(23)12-8-13(12)19/h3-7,12-13H,8H2,1-2H3,(H,21,22,23)/t12?,13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445952
PNG
(US10669246, Example 4 | US10968188, Example 4)
Show SMILES Cc1ccncc1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C17H14FN3OS/c1-9-4-5-19-8-12(9)10-2-3-14-15(6-10)23-17(20-14)21-16(22)11-7-13(11)18/h2-6,8,11,13H,7H2,1H3,(H,20,21,22)/t11-,13+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM445949
PNG
(US10669246, Example 1 | US10968188, Example 1)
Show SMILES Cc1cccc(F)c1-c1ccc2nc(NC(=O)[C@@H]3C[C@@H]3F)sc2c1 |r|
Show InChI InChI=1S/C18H14F2N2OS/c1-9-3-2-4-12(19)16(9)10-5-6-14-15(7-10)24-18(21-14)22-17(23)11-8-13(11)20/h2-7,11,13H,8H2,1H3,(H,21,22,23)/t11-,13+/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



1st Biotherapeutics, Inc.

US Patent


Assay Description
c-Kit kinase activity was measured by Promega's ADP-Glo™ Assay. In this assay, Recombinant human c-Kit (100 ng) is incubated with 5 μL of co...


US Patent US10968188 (2021)


BindingDB Entry DOI: 10.7270/Q2J969GZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383383
PNG
(CHEMBL2030557 | CHEMBL2069949)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cc4c(Cl)cccc4[nH]3)c12
Show InChI InChI=1S/C19H20ClN7/c20-13-2-1-3-14-12(13)8-15(25-14)17-16-18(21)23-10-24-19(16)27(26-17)9-11-4-6-22-7-5-11/h1-3,8,10-11,22,25H,4-7,9H2,(H2,21,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50383374
PNG
(CHEMBL2030555 | CHEMBL2069960 | US10544104, Compou...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)
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>1.50E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human ABL by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383380
PNG
(CHEMBL2030553 | CHEMBL2070047 | US10544104, Compou...)
Show SMILES COc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C22H24N6O/c1-29-18-5-4-15-10-17(3-2-16(15)11-18)20-19-21(23)25-13-26-22(19)28(27-20)12-14-6-8-24-9-7-14/h2-5,10-11,13-14,24H,6-9,12H2,1H3,(H2,23,25,26)
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383381
PNG
(CHEMBL2030554 | CHEMBL2070050 | US10544104, Compou...)
Show SMILES CCOc1ccc2cc(ccc2c1)-c1nn(CC2CCNCC2)c2ncnc(N)c12
Show InChI InChI=1S/C23H26N6O/c1-2-30-19-6-5-16-11-18(4-3-17(16)12-19)21-20-22(24)26-14-27-23(20)29(28-21)13-15-7-9-25-10-8-15/h3-6,11-12,14-15,25H,2,7-10,13H2,1H3,(H2,24,26,27)
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50383374
PNG
(CHEMBL2030555 | CHEMBL2069960 | US10544104, Compou...)
Show SMILES Nc1ncnc2n(CC3CCNCC3)nc(-c3cnc4ccccc4c3)c12
Show InChI InChI=1S/C20H21N7/c21-19-17-18(15-9-14-3-1-2-4-16(14)23-10-15)26-27(20(17)25-12-24-19)11-13-5-7-22-8-6-13/h1-4,9-10,12-13,22H,5-8,11H2,(H2,21,24,25)
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>2.00E+4n/an/an/an/an/an/an/an/a



University of Washington

Curated by ChEMBL


Assay Description
Inhibition of human SRC by radiometric assay


J Med Chem 55: 2803-10 (2012)


Article DOI: 10.1021/jm201725v
BindingDB Entry DOI: 10.7270/Q2ST7QVK
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159516
PNG
(US9034921, E158 | US9340521, E024)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(cc2)C2CC2)c(Cl)c2OCOc12 |r|
Show InChI InChI=1S/C23H25ClO7/c24-17-14(7-11-1-3-12(4-2-11)13-5-6-13)8-15(22-23(17)30-10-29-22)21-20(28)19(27)18(26)16(9-25)31-21/h1-4,8,13,16,18-21,25-28H,5-7,9-10H2/t16-,18-,19+,20-,21+/m1/s1
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n/an/a 0.370n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159528
PNG
(US9034921, E171 | US9340521, E028)
Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc(C=C)cc2)c(Cl)c2OCCc12 |r|
Show InChI InChI=1S/C23H25ClO6/c1-2-12-3-5-13(6-4-12)9-14-10-16(15-7-8-29-22(15)18(14)24)23-21(28)20(27)19(26)17(11-25)30-23/h2-6,10,17,19-21,23,25-28H,1,7-9,11H2/t17-,19-,20+,21-,23+/m1/s1
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n/an/a 0.370n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159520
PNG
(US9034921, E162 | US9340521, E026)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO7/c1-2-11-3-5-12(6-4-11)7-13-8-14(21-22(16(13)23)29-10-28-21)20-19(27)18(26)17(25)15(9-24)30-20/h3-6,8,15,17-20,24-27H,2,7,9-10H2,1H3/t15-,17-,18+,19-,20+/m1/s1
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n/an/a 0.400n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159387
PNG
(US9034921, E001 | US9340521, E001)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Br)cc1 |r|
Show InChI InChI=1S/C23H27BrO6/c1-29-14-7-5-12(6-8-14)9-13-10-17(15-3-2-4-16(15)19(13)24)23-22(28)21(27)20(26)18(11-25)30-23/h5-8,10,18,20-23,25-28H,2-4,9,11H2,1H3/t18-,20-,21+,22-,23+/m1/s1
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n/an/a 0.440n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM228482
PNG
(US9340521, E029)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](SO)[C@@H](O)[C@H](O)[C@H]3O)c3OCCCc3c2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO7S/c1-28-13-6-4-11(5-7-13)9-12-10-15(20-14(16(12)23)3-2-8-29-20)21-18(25)17(24)19(26)22(30-21)31-27/h4-7,10,17-19,21-22,24-27H,2-3,8-9H2,1H3/t17-,18-,19+,21+,22-/m1/s1
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n/an/a 0.470n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM228499
PNG
(US9340521, E051)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c3OCOc3c2Cl)cc1 |r|
Show InChI InChI=1S/C22H25ClO7S/c1-3-27-13-6-4-11(5-7-13)8-12-9-14(20-21(15(12)23)29-10-28-20)19-17(25)16(24)18(26)22(30-19)31-2/h4-7,9,16-19,22,24-26H,3,8,10H2,1-2H3/t16-,17-,18+,19+,22-/m1/s1
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n/an/a 0.490n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM228491
PNG
(US9340521, E043)
Show SMILES CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCCc3c2Cl)cc1 |r|
Show InChI InChI=1S/C25H31ClO5/c1-2-14-7-9-15(10-8-14)11-16-12-19(17-5-3-4-6-18(17)21(16)26)25-24(30)23(29)22(28)20(13-27)31-25/h7-10,12,20,22-25,27-30H,2-6,11,13H2,1H3/t20-,22-,23+,24-,25+/m1/s1
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n/an/a 0.490n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM228496
PNG
(US9340521, E048)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO5S/c1-28-14-8-6-12(7-9-14)10-13-11-17(15-4-3-5-16(15)18(13)24)22-20(26)19(25)21(27)23(29-22)30-2/h6-9,11,19-23,25-27H,3-5,10H2,1-2H3/t19-,20-,21+,22+,23-/m1/s1
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n/an/a 0.5n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159599
PNG
(US9034921, E242 | US9340521, E036)
Show SMILES COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCSc3c2Cl)cc1 |r|
Show InChI InChI=1S/C23H27ClO6S/c1-29-14-6-4-12(5-7-14)9-13-10-16(15-3-2-8-31-23(15)18(13)24)22-21(28)20(27)19(26)17(11-25)30-22/h4-7,10,17,19-22,25-28H,2-3,8-9,11H2,1H3/t17-,19-,20+,21-,22+/m1/s1
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n/an/a 0.550n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2


(Homo sapiens (Human))
BDBM159394
PNG
(US9034921, E008 | US9340521, E006)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3CCCc3c2Cl)cc1 |r|
Show InChI InChI=1S/C24H29ClO6/c1-2-30-15-8-6-13(7-9-15)10-14-11-18(16-4-3-5-17(16)20(14)25)24-23(29)22(28)21(27)19(12-26)31-24/h6-9,11,19,21-24,26-29H,2-5,10,12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
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n/an/a 0.550n/an/an/an/a7.437



GREEN CROSS CORPORATION

US Patent


Assay Description
For sodium-dependent glucose transport assay, cells expressing hSGLT2 were seeded into a 96-well culture plate at a density of 5×104 cells/well...


US Patent US9340521 (2016)


BindingDB Entry DOI: 10.7270/Q2TQ60CH
More data for this
Ligand-Target Pair
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