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Compile Data Set for Download or QSAR

Found 89 hits from CIBA Pharmaceuticals   
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))
BDBM3032
PNG
(CHEMBL1204168 | CHEMBL29197 | N-(3-bromophenyl)-6,...)
Show SMILES COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC
Show InChI InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-4-10(17)6-11/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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n/an/a 6n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051302
PNG
((3-Chloro-phenyl)-(5-methyl-6-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1c([nH]c2ncnc(Nc3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C19H15ClN4/c1-12-16-18(23-15-9-5-8-14(20)10-15)21-11-22-19(16)24-17(12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 10n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051312
PNG
((3-Bromo-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Show InChI InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 25n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051317
PNG
((3-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 27n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051297
PNG
((3-Chloro-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 29n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051306
PNG
((3-Bromo-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[4...)
Show SMILES Brc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 46n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051305
PNG
((3-Chloro-phenyl)-(5,6-diphenyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c(c(-c4ccccc4)c23)-c2ccccc2)c1
Show InChI InChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
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n/an/a 96n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051320
PNG
((6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-...)
Show SMILES Cc1ccc(Nc2ncnc3[nH]c4CCCCc4c23)cc1
Show InChI InChI=1S/C17H18N4/c1-11-6-8-12(9-7-11)20-16-15-13-4-2-3-5-14(13)21-17(15)19-10-18-16/h6-10H,2-5H2,1H3,(H2,18,19,20,21)
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n/an/a 110n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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n/an/a 120n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051297
PNG
((3-Chloro-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 120n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051311
PNG
((3,5-Dichloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3...)
Show SMILES Cc1[nH]c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H12Cl2N4/c1-7-8(2)19-13-12(7)14(18-6-17-13)20-11-4-9(15)3-10(16)5-11/h3-6H,1-2H3,(H2,17,18,19,20)
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n/an/a 170n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051333
PNG
(3-(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(c3)C#N)c2c1C
Show InChI InChI=1S/C15H13N5/c1-9-10(2)19-14-13(9)15(18-8-17-14)20-12-5-3-4-11(6-12)7-16/h3-6,8H,1-2H3,(H2,17,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051309
PNG
((3-Chloro-phenyl)-(6-methyl-5-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1
Show InChI InChI=1S/C19H15ClN4/c1-12-16(13-6-3-2-4-7-13)17-18(23-12)21-11-22-19(17)24-15-9-5-8-14(20)10-15/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 230n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040929
PNG
(4,5-dianilinophthalimide | 5,6-bis(phenylamino)-1H...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc12
Show InChI InChI=1S/C20H15N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h1-12,21-22H,(H,23,24,25)
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n/an/a 300n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051317
PNG
((3-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 300n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051310
PNG
(CHEMBL433305 | Phenyl-(6,7,8,9-tetrahydro-5H-pyrim...)
Show SMILES C1CCc2c(C1)[nH]c1ncnc(Nc3ccccc3)c21
Show InChI InChI=1S/C16H16N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19,20)
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n/an/a 310n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051321
PNG
((6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C17H15F3N4/c18-17(19,20)10-4-3-5-11(8-10)23-15-14-12-6-1-2-7-13(12)24-16(14)22-9-21-15/h3-5,8-9H,1-2,6-7H2,(H2,21,22,23,24)
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n/an/a 360n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051306
PNG
((3-Bromo-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[4...)
Show SMILES Brc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 400n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051303
PNG
(3-(6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-yl...)
Show SMILES Oc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H16N4O/c21-11-5-3-4-10(8-11)19-15-14-12-6-1-2-7-13(12)20-16(14)18-9-17-15/h3-5,8-9,21H,1-2,6-7H2,(H2,17,18,19,20)
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n/an/a 420n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051318
PNG
((3-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES CN(c1cccc(Cl)c1)c1ncnc2[nH]c(C)c(C)c12
Show InChI InChI=1S/C15H15ClN4/c1-9-10(2)19-14-13(9)15(18-8-17-14)20(3)12-6-4-5-11(16)7-12/h4-8H,1-3H3,(H,17,18,19)
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n/an/a 500n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051307
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(F)c3)c2c1C
Show InChI InChI=1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 550n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051316
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(4-...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C14H13FN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 560n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051304
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-m-t...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(C)c3)c2c1C
Show InChI InChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
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n/an/a 570n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051300
PNG
((6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)-...)
Show SMILES Cc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C17H18N4/c1-11-5-4-6-12(9-11)20-16-15-13-7-2-3-8-14(13)21-17(15)19-10-18-16/h4-6,9-10H,2-3,7-8H2,1H3,(H2,18,19,20,21)
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n/an/a 820n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051328
PNG
((3-Methoxy-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido...)
Show SMILES COc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C17H18N4O/c1-22-12-6-4-5-11(9-12)20-16-15-13-7-2-3-8-14(13)21-17(15)19-10-18-16/h4-6,9-10H,2-3,7-8H2,1H3,(H2,18,19,20,21)
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n/an/a 860n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051323
PNG
(Benzyl-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-...)
Show SMILES Cc1[nH]c2ncnc(NCc3ccccc3)c2c1C
Show InChI InChI=1S/C15H16N4/c1-10-11(2)19-15-13(10)14(17-9-18-15)16-8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3,(H2,16,17,18,19)
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n/an/a 1.08E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051325
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-...)
Show SMILES COc1cccc(Nc2ncnc3[nH]c(C)c(C)c23)c1
Show InChI InChI=1S/C15H16N4O/c1-9-10(2)18-14-13(9)15(17-8-16-14)19-11-5-4-6-12(7-11)20-3/h4-8H,1-3H3,(H2,16,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051322
PNG
(3-(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(O)c3)c2c1C
Show InChI InChI=1S/C14H14N4O/c1-8-9(2)17-13-12(8)14(16-7-15-13)18-10-4-3-5-11(19)6-10/h3-7,19H,1-2H3,(H2,15,16,17,18)
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n/an/a 1.25E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051312
PNG
((3-Bromo-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Show InChI InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 1.50E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051330
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1C
Show InChI InChI=1S/C15H13F3N4/c1-8-9(2)21-13-12(8)14(20-7-19-13)22-11-5-3-4-10(6-11)15(16,17)18/h3-7H,1-2H3,(H2,19,20,21,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051319
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phe...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C14H14N4/c1-9-10(2)17-13-12(9)14(16-8-15-13)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)
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n/an/a 1.90E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051319
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phe...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C14H14N4/c1-9-10(2)17-13-12(9)14(16-8-15-13)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)
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n/an/a 2.00E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051332
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-p-t...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C15H16N4/c1-9-4-6-12(7-5-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
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n/an/a 2.10E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051312
PNG
((3-Bromo-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]py...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
Show InChI InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 2.30E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051329
PNG
(4-(3-Chloro-phenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d...)
Show SMILES Cc1[nH]c2ncnc(Oc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H12ClN3O/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H,16,17,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051305
PNG
((3-Chloro-phenyl)-(5,6-diphenyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c(c(-c4ccccc4)c23)-c2ccccc2)c1
Show InChI InChI=1S/C24H17ClN4/c25-18-12-7-13-19(14-18)28-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)27-15-26-23/h1-15H,(H2,26,27,28,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051310
PNG
(CHEMBL433305 | Phenyl-(6,7,8,9-tetrahydro-5H-pyrim...)
Show SMILES C1CCc2c(C1)[nH]c1ncnc(Nc3ccccc3)c21
Show InChI InChI=1S/C16H16N4/c1-2-6-11(7-3-1)19-15-14-12-8-4-5-9-13(12)20-16(14)18-10-17-15/h1-3,6-7,10H,4-5,8-9H2,(H2,17,18,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051304
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-m-t...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(C)c3)c2c1C
Show InChI InChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
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n/an/a 5.30E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051302
PNG
((3-Chloro-phenyl)-(5-methyl-6-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1c([nH]c2ncnc(Nc3cccc(Cl)c3)c12)-c1ccccc1
Show InChI InChI=1S/C19H15ClN4/c1-12-16-18(23-15-9-5-8-14(20)10-15)21-11-22-19(16)24-17(12)13-6-3-2-4-7-13/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051309
PNG
((3-Chloro-phenyl)-(6-methyl-5-phenyl-7H-pyrrolo[2,...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1-c1ccccc1
Show InChI InChI=1S/C19H15ClN4/c1-12-16(13-6-3-2-4-7-13)17-18(23-12)21-11-22-19(17)24-15-9-5-8-14(20)10-15/h2-11H,1H3,(H2,21,22,23,24)
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n/an/a 6.00E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of EGF-stimulated tyrosine phosphorylation in A431 cells expressing EGF-R


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051326
PNG
(CHEMBL419635 | Cyclohexyl-(2,5,6-trimethyl-7H-pyrr...)
Show SMILES Cc1[nH]c2nc(C)nc(NC3CCCCC3)c2c1C
Show InChI InChI=1S/C15H22N4/c1-9-10(2)16-14-13(9)15(18-11(3)17-14)19-12-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H2,16,17,18,19)
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n/an/a 6.92E+3n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051327
PNG
(3-(5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylami...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(c3)C(O)=O)c2c1C
Show InChI InChI=1S/C15H14N4O2/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(6-11)15(20)21/h3-7H,1-2H3,(H,20,21)(H2,16,17,18,19)
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n/an/a 1.63E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051331
PNG
(3-(6,7,8,9-Tetrahydro-5H-pyrimido[4,5-b]indol-4-yl...)
Show SMILES OC(=O)c1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C17H16N4O2/c22-17(23)10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H,22,23)(H2,18,19,20,21)
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n/an/a 2.57E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051308
PNG
((3-Chloro-phenyl)-(9H-pyrimido[4,5-b]indol-4-yl)-a...)
Show SMILES Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C16H11ClN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h1-9H,(H2,18,19,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051306
PNG
((3-Bromo-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[4...)
Show SMILES Brc1cccc(Nc2ncnc3[nH]c4CCCCc4c23)c1
Show InChI InChI=1S/C16H15BrN4/c17-10-4-3-5-11(8-10)20-15-14-12-6-1-2-7-13(12)21-16(14)19-9-18-15/h3-5,8-9H,1-2,6-7H2,(H2,18,19,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50051317
PNG
((3-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a 4.05E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of tyrosine kinase v-Abl


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051324
PNG
((4-Ethyl-phenyl)-(6,7,8,9-tetrahydro-5H-pyrimido[4...)
Show SMILES CCc1ccc(Nc2ncnc3[nH]c4CCCCc4c23)cc1
Show InChI InChI=1S/C18H20N4/c1-2-12-7-9-13(10-8-12)21-17-16-14-5-3-4-6-15(14)22-18(16)20-11-19-17/h7-11H,2-6H2,1H3,(H2,19,20,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50051315
PNG
((4-Chloro-phenyl)-(5,6-dimethyl-7H-pyrrolo[2,3-d]p...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-10(15)4-6-11/h3-7H,1-2H3,(H2,16,17,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against epidermal growth factor receptor


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50051319
PNG
((5,6-Dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-phe...)
Show SMILES Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C14H14N4/c1-9-10(2)17-13-12(9)14(16-8-15-13)18-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,15,16,17,18)
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n/an/a 7.50E+4n/an/an/an/an/an/a



CIBA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 39: 2285-92 (1996)


Article DOI: 10.1021/jm960118j
BindingDB Entry DOI: 10.7270/Q2J1028B
More data for this
Ligand-Target Pair
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