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Compile Data Set for Download or QSAR

Found 70 hits from Curis Inc   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307778
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O3S/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 2n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307783
PNG
(CHEMBL597773 | N1-(4-(3-chloro-4-fluorophenylamino...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C23H25ClFN5O4/c1-34-20-12-18-15(23(27-13-26-18)28-14-8-9-17(25)16(24)10-14)11-19(20)29-21(31)6-4-2-3-5-7-22(32)30-33/h8-13,33H,2-7H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)
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n/an/a 2.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 2.40n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307775
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 3.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307773
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22ClFN4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-13-6-7-16(23)15(22)9-13/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 3.40n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 4.5n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307774
PNG
(6-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C23H24N4O4/c1-3-16-8-7-9-17(12-16)26-23-18-13-21(20(30-2)14-19(18)24-15-25-23)31-11-6-4-5-10-22(28)27-29/h1,7-9,12-15,29H,4-6,10-11H2,2H3,(H,27,28)(H,24,25,26)
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n/an/a 4.60n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 5.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC6 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307790
PNG
(7-(4-(3-chloro-4-fluorophenylamino)-6-methoxyquina...)
Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-11-15-18(12-20(19)32-9-5-3-2-4-6-21(29)28-30)25-13-26-22(15)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 7n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307769
PNG
(3-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16ClFN4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 7.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307770
PNG
(4-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18ClFN4O4/c1-28-16-9-15-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-15)24-11-4-5-14(21)13(20)7-11/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 7.80n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307791
PNG
(7-(4-(3-Ethynylphenylamino)-6-methoxyquinazolin-7-...)
Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-21(31-2)22(15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 8.20n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307777
PNG
(7-(4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-7...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C29H30ClFN4O5/c1-38-26-16-24-22(15-27(26)39-12-5-3-2-4-9-28(36)35-37)29(33-18-32-24)34-21-10-11-25(23(30)14-21)40-17-19-7-6-8-20(31)13-19/h6-8,10-11,13-16,18,37H,2-5,9,12,17H2,1H3,(H,35,36)(H,32,33,34)
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n/an/a 9.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 9.10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307771
PNG
(5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20ClFN4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 9.40n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307782
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-(2-methoxyet...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H28ClFN4O5/c1-33-10-11-35-22-14-20-17(13-21(22)34-9-5-3-2-4-6-23(31)30-32)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h7-8,12-15,32H,2-6,9-11H2,1H3,(H,30,31)(H,27,28,29)
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Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 10n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307777
PNG
(7-(4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino)-7...)
Show SMILES COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C29H30ClFN4O5/c1-38-26-16-24-22(15-27(26)39-12-5-3-2-4-9-28(36)35-37)29(33-18-32-24)34-21-10-11-25(23(30)14-21)40-17-19-7-6-8-20(31)13-19/h6-8,10-11,13-16,18,37H,2-5,9,12,17H2,1H3,(H,35,36)(H,32,33,34)
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Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM5445
PNG
(CHEMBL554 | GW572016 | LAPATINIB DITOSYLATE | Lapa...)
Show SMILES CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Show InChI InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
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n/an/a 11n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histone deacetylase 1/3/5/8


(Homo sapiens (Human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 11n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC5 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307769
PNG
(3-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC(=O)NO
Show InChI InChI=1S/C18H16ClFN4O4/c1-27-15-8-14-11(7-16(15)28-5-4-17(25)24-26)18(22-9-21-14)23-10-2-3-13(20)12(19)6-10/h2-3,6-9,26H,4-5H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 11n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307770
PNG
(4-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC(=O)NO
Show InChI InChI=1S/C19H18ClFN4O4/c1-28-16-9-15-12(8-17(16)29-6-2-3-18(26)25-27)19(23-10-22-15)24-11-4-5-14(21)13(20)7-11/h4-5,7-10,27H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)
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n/an/a 12n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase 4


(Homo sapiens (Human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC4 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307787
PNG
((R)-N-Hydroxy-7-(7-methoxy-4-(1-phenylethylamino)q...)
Show SMILES COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H30N4O4/c1-17(18-10-6-5-7-11-18)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-13-9-4-3-8-12-23(29)28-30/h5-7,10-11,14-17,30H,3-4,8-9,12-13H2,1-2H3,(H,28,29)(H,25,26,27)/t17-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 13n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC2 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307779
PNG
(7-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1S(=O)(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O5S/c1-33-19-12-18-15(22(26-13-25-18)27-14-7-8-17(24)16(23)10-14)11-20(19)34(31,32)9-5-3-2-4-6-21(29)28-30/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 15n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307772
PNG
(5-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C22H22N4O4/c1-3-15-7-6-8-16(11-15)25-22-17-12-20(30-10-5-4-9-21(27)26-28)19(29-2)13-18(17)23-14-24-22/h1,6-8,11-14,28H,4-5,9-10H2,2H3,(H,26,27)(H,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307771
PNG
(5-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C20H20ClFN4O4/c1-29-17-10-16-13(9-18(17)30-7-3-2-4-19(27)26-28)20(24-11-23-16)25-12-5-6-15(22)14(21)8-12/h5-6,8-11,28H,2-4,7H2,1H3,(H,26,27)(H,23,24,25)
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n/an/a 15n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307775
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307773
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C21H22ClFN4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-13-6-7-16(23)15(22)9-13/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 20n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307783
PNG
(CHEMBL597773 | N1-(4-(3-chloro-4-fluorophenylamino...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCCCCC(=O)NO
Show InChI InChI=1S/C23H25ClFN5O4/c1-34-20-12-18-15(23(27-13-26-18)28-14-8-9-17(25)16(24)10-14)11-19(20)29-21(31)6-4-2-3-5-7-22(32)30-33/h8-13,33H,2-7H2,1H3,(H,29,31)(H,30,32)(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307778
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1SCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O3S/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 24n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307782
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)-7-(2-methoxyet...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H28ClFN4O5/c1-33-10-11-35-22-14-20-17(13-21(22)34-9-5-3-2-4-6-23(31)30-32)24(28-15-27-20)29-16-7-8-19(26)18(25)12-16/h7-8,12-15,32H,2-6,9-11H2,1H3,(H,30,31)(H,27,28,29)
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n/an/a 24n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone Deacetylase 10 (HDAC10)


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 26n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC10 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307787
PNG
((R)-N-Hydroxy-7-(7-methoxy-4-(1-phenylethylamino)q...)
Show SMILES COc1cc2ncnc(N[C@H](C)c3ccccc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H30N4O4/c1-17(18-10-6-5-7-11-18)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-13-9-4-3-8-12-23(29)28-30/h5-7,10-11,14-17,30H,3-4,8-9,12-13H2,1-2H3,(H,28,29)(H,25,26,27)/t17-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307776
PNG
(7-(4-(3-Ethynyl-4-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28)
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n/an/a 29n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307774
PNG
(6-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCC(=O)NO
Show InChI InChI=1S/C23H24N4O4/c1-3-16-8-7-9-17(12-16)26-23-18-13-21(20(30-2)14-19(18)24-15-25-23)31-11-6-4-5-10-22(28)27-29/h1,7-9,12-15,29H,4-6,10-11H2,2H3,(H,27,28)(H,24,25,26)
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n/an/a 38n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307772
PNG
(5-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCC(=O)NO
Show InChI InChI=1S/C22H22N4O4/c1-3-15-7-6-8-16(11-15)25-22-17-12-20(30-10-5-4-9-21(27)26-28)19(29-2)13-18(17)23-14-24-22/h1,6-8,11-14,28H,4-5,9-10H2,2H3,(H,26,27)(H,23,24,25)
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n/an/a 38n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307781
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl...)
Show SMILES ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C21H22ClFN4O3/c22-17-11-14(6-8-18(17)23)26-21-16-12-15(7-9-19(16)24-13-25-21)30-10-4-2-1-3-5-20(28)27-29/h6-9,11-13,29H,1-5,10H2,(H,27,28)(H,24,25,26)
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n/an/a 44n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM5446
PNG
(CHEMBL553 | ERLOTINIB HYDROCHLORIDE | Erlotinib | ...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
Show InChI InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)
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n/an/a 48n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307791
PNG
(7-(4-(3-Ethynylphenylamino)-6-methoxyquinazolin-7-...)
Show SMILES COc1cc2c(Nc3cccc(c3)C#C)ncnc2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-21(31-2)22(15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 52n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (Human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 67n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC9 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307790
PNG
(7-(4-(3-chloro-4-fluorophenylamino)-6-methoxyquina...)
Show SMILES COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C22H24ClFN4O4/c1-31-19-11-15-18(12-20(19)32-9-5-3-2-4-6-21(29)28-30)25-13-26-22(15)27-14-7-8-17(24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27)
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n/an/a 71n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307780
PNG
(7-(4-(3-Chloro-4-fluorobenzylamino)-7-methoxyquina...)
Show SMILES COc1cc2ncnc(NCc3ccc(Cl)c(F)c3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C23H26ClFN4O4/c1-32-20-12-19-16(11-21(20)33-9-5-3-2-4-6-22(30)29-31)23(28-14-27-19)26-13-15-7-8-17(24)18(25)10-15/h7-8,10-12,14,31H,2-6,9,13H2,1H3,(H,29,30)(H,26,27,28)
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n/an/a 72n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor and ErbB2 (HER1 and HER2)


(Homo sapiens (human))
BDBM50307776
PNG
(7-(4-(3-Ethynyl-4-fluorophenylamino)-7-methoxyquin...)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H25FN4O4/c1-3-16-12-17(9-10-19(16)25)28-24-18-13-22(21(32-2)14-20(18)26-15-27-24)33-11-7-5-4-6-8-23(30)29-31/h1,9-10,12-15,31H,4-8,11H2,2H3,(H,29,30)(H,26,27,28)
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n/an/a 77n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of HER2


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Histone deacetylase 8


(Homo sapiens (human))
BDBM50307768
PNG
(7-(4-(3-Ethynylphenylamino)-7-methoxyquinazolin-6-...)
Show SMILES COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H26N4O4/c1-3-17-9-8-10-18(13-17)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-12-7-5-4-6-11-23(29)28-30/h1,8-10,13-16,30H,4-7,11-12H2,2H3,(H,28,29)(H,25,26,27)
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n/an/a 80n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of human HDAC8 expressed in Escherichia coli


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307781
PNG
(7-(4-(3-Chloro-4-fluorophenylamino)quinazolin-6-yl...)
Show SMILES ONC(=O)CCCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C21H22ClFN4O3/c22-17-11-14(6-8-18(17)23)26-21-16-12-15(7-9-19(16)24-13-25-21)30-10-4-2-1-3-5-20(28)27-29/h6-9,11-13,29H,1-5,10H2,(H,27,28)(H,24,25,26)
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n/an/a 84n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307784
PNG
(7-(4-(Benzylamino)-7-methoxyquinazolin-6-yloxy)-N-...)
Show SMILES COc1cc2ncnc(NCc3ccccc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C23H28N4O4/c1-30-20-14-19-18(13-21(20)31-12-8-3-2-7-11-22(28)27-29)23(26-16-25-19)24-15-17-9-5-4-6-10-17/h4-6,9-10,13-14,16,29H,2-3,7-8,11-12,15H2,1H3,(H,27,28)(H,24,25,26)
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n/an/a 99n/an/an/an/an/an/a



Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50307788
PNG
((R)-7-(4-(1-(4-Fluorophenyl)ethylamino)-7-methoxyq...)
Show SMILES COc1cc2ncnc(N[C@@H](C)c3ccc(F)cc3)c2cc1OCCCCCCC(=O)NO
Show InChI InChI=1S/C24H29FN4O4/c1-16(17-8-10-18(25)11-9-17)28-24-19-13-22(21(32-2)14-20(19)26-15-27-24)33-12-6-4-3-5-7-23(30)29-31/h8-11,13-16,31H,3-7,12H2,1-2H3,(H,29,30)(H,26,27,28)/t16-/m0/s1
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Curis Inc

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Med Chem 53: 2000-9 (2010)


Article DOI: 10.1021/jm901453q
BindingDB Entry DOI: 10.7270/Q2CR5TGQ
More data for this
Ligand-Target Pair
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