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Compile Data Set for Download or QSAR

Found 305 hits with Last Name = 'akita' and Initial = 'y'   
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
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386696
PNG
(CHEMBL2048911)
Show SMILES Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12
Show InChI InChI=1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-11-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386693
PNG
(CHEMBL2048912)
Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315427
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(methylsulfanyl)...)
Show SMILES CSc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H23ClO4S2/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386694
PNG
(CHEMBL2048789)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4ccc5CNC(=O)c5c4)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-17-9-14(27-21-20-18(25-12-26-21)5-6-28(20)7-8-29)2-4-19(17)31-15-3-1-13-11-24-22(30)16(13)10-15/h1-6,9-10,12,29H,7-8,11H2,(H,24,30)(H,25,26,27)
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n/an/a 1.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315431
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methylbenzyl)phe...)
Show SMILES Cc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H23ClO4S/c1-11-2-4-12(5-3-11)8-14-9-13(6-7-15(14)21)20-19(25)18(24)17(23)16(10-22)26-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315423
PNG
((1S)-1,5-Anhydro-1-[4-chloro-5-(4-ethylbenzyl)-2-m...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1
Show InChI InChI=1S/C22H27ClO5S/c1-3-12-4-6-13(7-5-12)8-14-9-15(17(28-2)10-16(14)23)22-21(27)20(26)19(25)18(11-24)29-22/h4-7,9-10,18-22,24-27H,3,8,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386708
PNG
(CHEMBL2048795)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-15-11-14(26-22-21-16(24-12-25-22)6-7-28(21)8-9-29)4-5-17(15)31-18-3-1-2-13-10-19(30)27-20(13)18/h1-7,11-12,29H,8-10H2,(H,27,30)(H,24,25,26)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386701
PNG
(CHEMBL2048906)
Show SMILES CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C23H19ClN6O2S/c1-14(31)25-8-10-30-9-7-18-22(30)23(27-13-26-18)29-15-5-6-20(17(24)11-15)32-19-3-2-4-21-16(19)12-28-33-21/h2-7,9,11-13H,8,10H2,1H3,(H,25,31)(H,26,27,29)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386707
PNG
(CHEMBL2048796)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-13(26-22-21-17(24-12-25-22)6-7-28(21)8-9-29)4-5-19(15)31-18-3-1-2-16-14(18)11-20(30)27-16/h1-7,10,12,29H,8-9,11H2,(H,27,30)(H,24,25,26)
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n/an/a 1.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386704
PNG
(CHEMBL2048903)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c12
Show InChI InChI=1S/C21H17ClN6O2/c22-15-10-13(26-21-20-17(23-12-24-21)6-7-28(20)8-9-29)4-5-19(15)30-18-3-1-2-16-14(18)11-25-27-16/h1-7,10-12,29H,8-9H2,(H,25,27)(H,23,24,26)
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n/an/a 1.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315425
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethylbenzyl)-2-methoxy-4-...)
Show SMILES CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1
Show InChI InChI=1S/C23H30O5S/c1-4-14-5-7-15(8-6-14)10-16-11-17(18(28-3)9-13(16)2)23-22(27)21(26)20(25)19(12-24)29-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315432
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-methoxybenzyl)ph...)
Show SMILES COc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C20H23ClO5S/c1-26-14-5-2-11(3-6-14)8-13-9-12(4-7-15(13)21)20-19(25)18(24)17(23)16(10-22)27-20/h2-7,9,16-20,22-25H,8,10H2,1H3/t16-,17-,18+,19-,20+/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315436
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethoxybenzyl)phe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO5S/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315430
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-(4-ethylbenzyl)phen...)
Show SMILES CCc1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C21H25ClO4S/c1-2-12-3-5-13(6-4-12)9-15-10-14(7-8-16(15)22)21-20(26)19(25)18(24)17(11-23)27-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386704
PNG
(CHEMBL2048903)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ncc45)c(Cl)c3)c12
Show InChI InChI=1S/C21H17ClN6O2/c22-15-10-13(26-21-20-17(23-12-24-21)6-7-28(20)8-9-29)4-5-19(15)30-18-3-1-2-16-14(18)11-25-27-16/h1-7,10-12,29H,8-9H2,(H,25,27)(H,23,24,26)
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n/an/a 1.90n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386698
PNG
(CHEMBL2048909)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClN6O4S2/c1-26(2,39(3,35)36)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(27)13-16)37-20-5-4-6-22-17(20)14-31-38-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32)
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n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358454
PNG
(CHEMBL1923009)
Show SMILES OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C22H20Cl2N4O3/c23-15-2-1-3-17(12-15)31-20-5-4-16(13-18(20)24)27-22-21-19(25-14-26-22)6-7-28(21)8-10-30-11-9-29/h1-7,12-14,29H,8-11H2,(H,25,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386703
PNG
(CHEMBL2048904)
Show SMILES Cn1ncc2c(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)cccc12
Show InChI InChI=1S/C22H19ClN6O2/c1-28-18-3-2-4-19(15(18)12-26-28)31-20-6-5-14(11-16(20)23)27-22-21-17(24-13-25-22)7-8-29(21)9-10-30/h2-8,11-13,30H,9-10H2,1H3,(H,24,25,27)
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386702
PNG
(CHEMBL2048905)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C21H16ClN5O2S/c22-15-10-13(26-21-20-16(23-12-24-21)6-7-27(20)8-9-28)4-5-18(15)29-17-2-1-3-19-14(17)11-25-30-19/h1-7,10-12,28H,8-9H2,(H,23,24,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386700
PNG
(CHEMBL2048907)
Show SMILES CC(C)(O)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C25H23ClN6O3S/c1-25(2,34)24(33)27-9-11-32-10-8-18-22(32)23(29-14-28-18)31-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-30-36-21/h3-8,10,12-14,34H,9,11H2,1-2H3,(H,27,33)(H,28,29,31)
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n/an/a 2.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315426
PNG
((1S)-1,5-Anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4...)
Show SMILES CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1
Show InChI InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386713
PNG
(CHEMBL2048788)
Show SMILES CC(C)(C)NC(=O)c1cccc(Oc2ccc(Nc3ncnc4ccn(CCO)c34)cc2Cl)c1
Show InChI InChI=1S/C25H26ClN5O3/c1-25(2,3)30-24(33)16-5-4-6-18(13-16)34-21-8-7-17(14-19(21)26)29-23-22-20(27-15-28-23)9-10-31(22)11-12-32/h4-10,13-15,32H,11-12H2,1-3H3,(H,30,33)(H,27,28,29)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315418
PNG
((1S)-1,5-Anhydro-1-[3-(4-ethoxybenzyl)-4-methylphe...)
Show SMILES CCOc1ccc(Cc2cc(ccc2C)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H28O5S/c1-3-27-17-8-5-14(6-9-17)10-16-11-15(7-4-13(16)2)22-21(26)20(25)19(24)18(12-23)28-22/h4-9,11,18-26H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386706
PNG
(CHEMBL2048797)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O2/c23-16-12-14(27-22-21-18(25-13-26-22)7-9-28(21)10-11-29)4-5-20(16)30-19-3-1-2-17-15(19)6-8-24-17/h1-9,12-13,24,29H,10-11H2,(H,25,26,27)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386709
PNG
(CHEMBL2048794)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CNC(=O)c45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-14(27-21-20-16(25-12-26-21)6-7-28(20)8-9-29)4-5-17(15)31-18-3-1-2-13-11-24-22(30)19(13)18/h1-7,10,12,29H,8-9,11H2,(H,24,30)(H,25,26,27)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386693
PNG
(CHEMBL2048912)
Show SMILES CC(C)(N)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C25H24ClN7O2S/c1-25(2,27)24(34)28-9-11-33-10-8-18-22(33)23(30-14-29-18)32-15-6-7-20(17(26)12-15)35-19-4-3-5-21-16(19)13-31-36-21/h3-8,10,12-14H,9,11,27H2,1-2H3,(H,28,34)(H,29,30,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315424
PNG
((1S)-1,5-Anhydro-1-[2-methoxy-4-methyl-5-[4-(propa...)
Show SMILES COc1cc(C)c(Cc2ccc(cc2)C(C)C)cc1[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C24H32O5S/c1-13(2)16-7-5-15(6-8-16)10-17-11-18(19(29-4)9-14(17)3)24-23(28)22(27)21(26)20(12-25)30-24/h5-9,11,13,20-28H,10,12H2,1-4H3/t20-,21-,22+,23-,24+/m1/s1
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Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386708
PNG
(CHEMBL2048795)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5CC(=O)Nc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-15-11-14(26-22-21-16(24-12-25-22)6-7-28(21)8-9-29)4-5-17(15)31-18-3-1-2-13-10-19(30)27-20(13)18/h1-7,11-12,29H,8-10H2,(H,27,30)(H,24,25,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358467
PNG
(CHEMBL1923022)
Show SMILES OCCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C24H21ClF3N5O3/c25-18-13-16(4-5-20(18)36-17-3-1-2-15(12-17)24(26,27)28)32-23-22-19(30-14-31-23)6-9-33(22)10-8-29-21(35)7-11-34/h1-6,9,12-14,34H,7-8,10-11H2,(H,29,35)(H,30,31,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 2.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-MGS0008 from mGluR2 expressed in CHO cells


Bioorg Med Chem 16: 4359-66 (2008)


Article DOI: 10.1016/j.bmc.2008.02.066
BindingDB Entry DOI: 10.7270/Q2PG1SMM
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386701
PNG
(CHEMBL2048906)
Show SMILES CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C23H19ClN6O2S/c1-14(31)25-8-10-30-9-7-18-22(30)23(27-13-26-18)29-15-5-6-20(17(24)11-15)32-19-3-2-4-21-16(19)12-28-33-21/h2-7,9,11-13H,8,10H2,1H3,(H,25,31)(H,26,27,29)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391645
PNG
(CHEMBL2148050)
Show SMILES CS(=O)(=O)CC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C23H21Cl2N5O4S/c1-35(32,33)13-21(31)26-8-10-30-9-7-19-22(30)23(28-14-27-19)29-16-5-6-20(18(25)12-16)34-17-4-2-3-15(24)11-17/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,26,31)(H,27,28,29)
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Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
BindingDB Entry DOI: 10.7270/Q21R6RMZ
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386696
PNG
(CHEMBL2048911)
Show SMILES Clc1cc(Nc2ncnc3ccn(CCNC(=O)[C@@H]4CCCN4)c23)ccc1Oc1cccc2sncc12
Show InChI InChI=1S/C26H24ClN7O2S/c27-18-13-16(6-7-22(18)36-21-4-1-5-23-17(21)14-32-37-23)33-25-24-19(30-15-31-25)8-11-34(24)12-10-29-26(35)20-3-2-9-28-20/h1,4-8,11,13-15,20,28H,2-3,9-10,12H2,(H,29,35)(H,30,31,33)/t20-/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386707
PNG
(CHEMBL2048796)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5NC(=O)Cc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O3/c23-15-10-13(26-22-21-17(24-12-25-22)6-7-28(21)8-9-29)4-5-19(15)31-18-3-1-2-16-14(18)11-20(30)27-16/h1-7,10,12,29H,8-9,11H2,(H,27,30)(H,24,25,26)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386706
PNG
(CHEMBL2048797)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5[nH]ccc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H18ClN5O2/c23-16-12-14(27-22-21-18(25-13-26-22)7-9-28(21)10-11-29)4-5-20(16)30-19-3-1-2-17-15(19)6-8-24-17/h1-9,12-13,24,29H,10-11H2,(H,25,26,27)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386699
PNG
(CHEMBL2048908)
Show SMILES CC(C)(CO)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClN6O3S/c1-26(2,14-34)25(35)28-9-11-33-10-8-19-23(33)24(30-15-29-19)32-16-6-7-21(18(27)12-16)36-20-4-3-5-22-17(20)13-31-37-22/h3-8,10,12-13,15,34H,9,11,14H2,1-2H3,(H,28,35)(H,29,30,32)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358448
PNG
(CHEMBL1923003)
Show SMILES Cn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C19H14Cl2N4O/c1-25-8-7-16-18(25)19(23-11-22-16)24-13-5-6-17(15(21)10-13)26-14-4-2-3-12(20)9-14/h2-11H,1H3,(H,22,23,24)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50376408
PNG
(CHEMBL409928)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@]1(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H18FNO5/c21-19(17(23)24)10-16(19)20(22,18(25)26)9-13-11-5-1-3-7-14(11)27-15-8-4-2-6-12(13)15/h1-8,13,16H,9-10,22H2,(H,23,24)(H,25,26)/t16-,19+,20-/m0/s1
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n/an/a 3.49n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-MGS0008 from mGluR2 expressed in CHO cells


Bioorg Med Chem 16: 4359-66 (2008)


Article DOI: 10.1016/j.bmc.2008.02.066
BindingDB Entry DOI: 10.7270/Q2PG1SMM
More data for this
Ligand-Target Pair
Sodium/glucose cotransporter 2 (SGLT2)


(Homo sapiens (Human))
BDBM50315429
PNG
((1S)-1,5-Anhydro-1-[4-chloro-3-[4-(propan-2-yl)ben...)
Show SMILES CC(C)c1ccc(Cc2cc(ccc2Cl)[C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1
Show InChI InChI=1S/C22H27ClO4S/c1-12(2)14-5-3-13(4-6-14)9-16-10-15(7-8-17(16)23)22-21(27)20(26)19(25)18(11-24)28-22/h3-8,10,12,18-22,24-27H,9,11H2,1-2H3/t18-,19-,20+,21-,22+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human SGLT2 expressed in CHOK1 cells assessed as inhibition of glucose uptake


J Med Chem 53: 3247-61 (2010)


Article DOI: 10.1021/jm901893x
BindingDB Entry DOI: 10.7270/Q2KH0NG6
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386702
PNG
(CHEMBL2048905)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C21H16ClN5O2S/c22-15-10-13(26-21-20-16(23-12-24-21)6-7-27(20)8-9-28)4-5-18(15)29-17-2-1-3-19-14(17)11-25-30-19/h1-7,10-12,28H,8-9H2,(H,23,24,26)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50391642
PNG
(CHEMBL2148051)
Show SMILES CC(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C24H23Cl2N5O4S/c1-15(36(2,33)34)24(32)27-9-11-31-10-8-20-22(31)23(29-14-28-20)30-17-6-7-21(19(26)13-17)35-18-5-3-4-16(25)12-18/h3-8,10,12-15H,9,11H2,1-2H3,(H,27,32)(H,28,29,30)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal DYKDDDD tagged HER2 cytoplasmic domain amino acid 676 to 1255 expressed in baculovirus after 5 mins by scintillation c...


Bioorg Med Chem 20: 6171-80 (2012)


Article DOI: 10.1016/j.bmc.2012.08.002
BindingDB Entry DOI: 10.7270/Q21R6RMZ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358451
PNG
(CHEMBL1923006)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc(Cl)c4)c(Cl)c3)c12
Show InChI InChI=1S/C20H16Cl2N4O2/c21-13-2-1-3-15(10-13)28-18-5-4-14(11-16(18)22)25-20-19-17(23-12-24-20)6-7-26(19)8-9-27/h1-7,10-12,27H,8-9H2,(H,23,24,25)
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n/an/a 4.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358464
PNG
(CHEMBL1923019)
Show SMILES OCC(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C23H19ClF3N5O3/c24-17-11-15(4-5-19(17)35-16-3-1-2-14(10-16)23(25,26)27)31-22-21-18(29-13-30-22)6-8-32(21)9-7-28-20(34)12-33/h1-6,8,10-11,13,33H,7,9,12H2,(H,28,34)(H,29,30,31)
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n/an/a 4.30n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50376406
PNG
(CHEMBL259435)
Show SMILES NC(CC1c2ccccc2Oc2ccccc12)(C1CC1(F)C(O)=O)C(O)=O
Show InChI InChI=1S/C20H18FNO5/c21-19(17(23)24)10-16(19)20(22,18(25)26)9-13-11-5-1-3-7-14(11)27-15-8-4-2-6-12(13)15/h1-8,13,16H,9-10,22H2,(H,23,24)(H,25,26)
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n/an/a 4.45n/an/an/an/an/an/a



Taisho Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]-MGS0008 from mGluR2 expressed in CHO cells


Bioorg Med Chem 16: 4359-66 (2008)


Article DOI: 10.1016/j.bmc.2008.02.066
BindingDB Entry DOI: 10.7270/Q2PG1SMM
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358443
PNG
(CHEMBL1922999)
Show SMILES Cc1cccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2Cl)c1
Show InChI InChI=1S/C19H15ClN4O/c1-12-3-2-4-14(9-12)25-17-6-5-13(10-15(17)20)24-19-18-16(7-8-21-18)22-11-23-19/h2-11,21H,1H3,(H,22,23,24)
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n/an/a 4.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358455
PNG
(CHEMBL1923010)
Show SMILES OCCOCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12
Show InChI InChI=1S/C23H20ClF3N4O3/c24-18-13-16(4-5-20(18)34-17-3-1-2-15(12-17)23(25,26)27)30-22-21-19(28-14-29-22)6-7-31(21)8-10-33-11-9-32/h1-7,12-14,32H,8-11H2,(H,28,29,30)
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n/an/a 5.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
MER intracellular domain/EGFR extracellular domain chimera


(Homo sapiens (Human))
BDBM50386698
PNG
(CHEMBL2048909)
Show SMILES CC(C)(C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12)S(C)(=O)=O
Show InChI InChI=1S/C26H25ClN6O4S2/c1-26(2,39(3,35)36)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(27)13-16)37-20-5-4-6-22-17(20)14-31-38-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32)
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant EGFR expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50358465
PNG
(CHEMBL1923020)
Show SMILES CN(CCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12)C(=O)CO
Show InChI InChI=1S/C24H21ClF3N5O3/c1-32(21(35)13-34)9-10-33-8-7-19-22(33)23(30-14-29-19)31-16-5-6-20(18(25)12-16)36-17-4-2-3-15(11-17)24(26,27)28/h2-8,11-12,14,34H,9-10,13H2,1H3,(H,29,30,31)
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n/an/a 5.70n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human N-terminus peptide (DYKDDDD)-tagged HER2 expressed in baculovirus infected insect cells using [gamma-32P]ATP as substrate after 6...


J Med Chem 54: 8030-50 (2011)


Article DOI: 10.1021/jm2008634
BindingDB Entry DOI: 10.7270/Q23R0T93
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386705
PNG
(CHEMBL2048798)
Show SMILES OCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sccc45)c(Cl)c3)c12
Show InChI InChI=1S/C22H17ClN4O2S/c23-16-12-14(26-22-21-17(24-13-25-22)6-8-27(21)9-10-28)4-5-19(16)29-18-2-1-3-20-15(18)7-11-30-20/h1-8,11-13,28H,9-10H2,(H,24,25,26)
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n/an/a 6n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50386697
PNG
(CHEMBL2048910)
Show SMILES CC(C)(C)C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc5sncc45)c(Cl)c3)c12
Show InChI InChI=1S/C26H25ClN6O2S/c1-26(2,3)25(34)28-10-12-33-11-9-19-23(33)24(30-15-29-19)32-16-7-8-21(18(27)13-16)35-20-5-4-6-22-17(20)14-31-36-22/h4-9,11,13-15H,10,12H2,1-3H3,(H,28,34)(H,29,30,32)
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n/an/a 6.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of N-terminus peptide-tagged human recombinant HER2 expressed using baculovirus infection system using [gamma-33P]-ATP preincubated with c...


J Med Chem 55: 3975-91 (2012)


Article DOI: 10.1021/jm300185p
BindingDB Entry DOI: 10.7270/Q2474BX1
More data for this
Ligand-Target Pair
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