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Compile Data Set for Download or QSAR

Found 106 hits from Ciba-Geigy Limited   
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))
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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160n/an/an/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Competitive inhibition of ATP binding to EGF-R


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 0.400n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of Human kideny renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of marmoset plasma renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022586
PNG
(5-[2-[2-Benzyl-3-(2-methyl-propane-2-sulfinyl)-pro...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O5S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(25-50(49)39(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35?,50?/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of Human plasma renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of dog plasma renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022588
PNG
(CHEMBL291787 | {2-[1-(4-Butylcarbamoyl-1-cyclohexy...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CP(=O)(OCC)OCC)C(C)C
Show InChI InChI=1S/C39H64N5O7P/c1-6-9-20-41-38(47)33(28(4)5)24-36(45)34(22-30-18-14-11-15-19-30)43-39(48)35(23-32-25-40-27-42-32)44-37(46)31(21-29-16-12-10-13-17-29)26-52(49,50-7-2)51-8-3/h10,12-13,16-17,25,27-28,30-31,33-36,45H,6-9,11,14-15,18-24,26H2,1-5H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t31?,33-,34-,35-,36?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022587
PNG
(5-[2-(2-tert-Butylsulfanylmethyl-3-phenyl-propiony...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CSC(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C39H63N5O4S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(25-49-39(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35?/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022584
PNG
(2-Benzyl-5,5-dimethyl-4-oxo-hexanoic acid [1-(4-bu...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CC(=O)C(C)(C)C)Cc1ccccc1)C(C)C
Show InChI InChI=1S/C40H63N5O5/c1-7-8-19-42-38(49)32(27(2)3)24-35(46)33(21-29-17-13-10-14-18-29)44-39(50)34(23-31-25-41-26-43-31)45-37(48)30(22-36(47)40(4,5)6)20-28-15-11-9-12-16-28/h9,11-12,15-16,25-27,29-30,32-35,46H,7-8,10,13-14,17-24H2,1-6H3,(H,41,43)(H,42,49)(H,44,50)(H,45,48)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022590
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-butylcarbamoyl...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
Show InChI InChI=1S/C39H61N5O6/c1-8-9-20-41-34(46)30(26(2)3)23-33(45)31(21-27-16-12-10-13-17-27)43-35(47)32(22-29-24-40-25-42-29)44-36(48)39(7,28-18-14-11-15-19-28)50-37(49)38(4,5)6/h11,14-15,18-19,24-27,30-33,45H,8-10,12-13,16-17,20-23H2,1-7H3,(H,40,42)(H,41,46)(H,43,47)(H,44,48)/t30-,31-,32-,33?,39?/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Renin


(Homo sapiens (human))
BDBM50022859
PNG
(CHEMBL407670 | Pro-His-Pro-Phe-His-Leu[CH2NH]Val-I...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](NC[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022589
PNG
(CHEMBL435178 | {1-[1-(4-{1-[1-Carbamoyl-2-(3H-imid...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H68N10O8/c1-10-27(6)37(42(60)51-33(38(45)56)18-29-21-46-23-48-29)54-39(57)31(26(4)5)20-36(55)32(16-25(2)3)50-41(59)35(19-30-22-47-24-49-30)52-40(58)34(17-28-14-12-11-13-15-28)53-43(61)62-44(7,8)9/h11-15,21-27,31-37,55H,10,16-20H2,1-9H3,(H2,45,56)(H,46,48)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,31-,32-,33-,34-,35-,36?,37-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022581
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-butylcarbamoyl...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C
Show InChI InChI=1S/C36H57N5O6/c1-10-11-17-38-31(43)27(24(4)5)20-30(42)28(18-23(2)3)40-32(44)29(19-26-21-37-22-39-26)41-33(45)36(9,25-15-13-12-14-16-25)47-34(46)35(6,7)8/h12-16,21-24,27-30,42H,10-11,17-20H2,1-9H3,(H,37,39)(H,38,43)(H,40,44)(H,41,45)/t27-,28-,29-,30?,36?/m0/s1
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PubMed
n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022585
PNG
(5-[2-[2-(2,2-Dimethyl-propionylamino)-3-phenyl-pro...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H68N10O7/c1-10-27(6)37(42(60)51-33(38(45)56)18-29-21-46-23-48-29)54-39(57)31(26(4)5)20-36(55)32(16-25(2)3)50-41(59)35(19-30-22-47-24-49-30)52-40(58)34(53-43(61)44(7,8)9)17-28-14-12-11-13-15-28/h11-15,21-27,31-37,55H,10,16-20H2,1-9H3,(H2,45,56)(H,46,48)(H,47,49)(H,50,59)(H,51,60)(H,52,58)(H,53,61)(H,54,57)/t27-,31-,32-,33-,34-,35-,36?,37-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022591
PNG
(2,2-Dimethyl-propionic acid 1-[1-(4-{1-[1-carbamoy...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(C)(OC(=O)C(C)(C)C)c1ccccc1)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C44H67N9O8/c1-11-27(6)36(40(58)51-33(37(45)55)18-29-21-46-23-48-29)53-38(56)31(26(4)5)20-35(54)32(17-25(2)3)50-39(57)34(19-30-22-47-24-49-30)52-41(59)44(10,28-15-13-12-14-16-28)61-42(60)43(7,8)9/h12-16,21-27,31-36,54H,11,17-20H2,1-10H3,(H2,45,55)(H,46,48)(H,47,49)(H,50,57)(H,51,58)(H,52,59)(H,53,56)/t27-,31-,32-,33-,34-,35?,36-,44?/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of purified Human kidney renin (250 pg/mL) incubated with angiotensinogen at pH 7.2


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
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-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Renin


(Rattus norvegicus)
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 400n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of rat plasma renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a 700n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040920
PNG
(5,6-Bis-p-tolylamino-isoindole-1,3-dione | CHEMBL7...)
Show SMILES Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26,27)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Cathepsin D


(Bos taurus)
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine cathepsin D


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
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>4.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040920
PNG
(5,6-Bis-p-tolylamino-isoindole-1,3-dione | CHEMBL7...)
Show SMILES Cc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C22H19N3O2/c1-13-3-7-15(8-4-13)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-16-9-5-14(2)6-10-16/h3-12,23-24H,1-2H3,(H,25,26,27)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (human))
BDBM50022582
PNG
(CHEMBL53139 | Diastereomer-5-[2-[2-Benzyl-3-(2-met...)
Show SMILES CCCCNC(=O)[C@@H](CC(O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)CS(=O)(=O)C(C)(C)C)C(C)C
Show InChI InChI=1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30?,32-,33-,34-,35?/m0/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
In vitro inhibition of porcine plasma renin


J Med Chem 31: 1839-46 (1988)


Article DOI: 10.1021/jm00117a027
BindingDB Entry DOI: 10.7270/Q2Z03744
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Cyclic AMP-dependent protein kinase (PKA)


(Oryctolagus cuniculus (Rabbit))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity was determined against protein kinase A (PKA) of rabbit


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040916
PNG
(5,6-Bis-(4-hydroxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES Oc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(O)cc2)cc1
Show InChI InChI=1S/C20H15N3O4/c24-13-5-1-11(2-6-13)21-17-9-15-16(20(27)23-19(15)26)10-18(17)22-12-3-7-14(25)8-4-12/h1-10,21-22,24-25H,(H,23,26,27)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
PDGFR-beta/Platelet-derived growth factor receptor alpha


(Mus musculus (mouse))
BDBM50040917
PNG
(5-(Methyl-phenyl-amino)-6-phenylamino-isoindole-1,...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C21H17N3O2/c1-24(15-10-6-3-7-11-15)19-13-17-16(20(25)23-21(17)26)12-18(19)22-14-8-4-2-5-9-14/h2-13,22H,1H3,(H,23,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of PDGF-dependent autophosphorylation of PDGF-R in mouse BALB/c3T3 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(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 1.60E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040914
PNG
(5-(4-Methoxy-phenylamino)-6-phenylamino-isoindole-...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccccc2)cc1
Show InChI InChI=1S/C21H17N3O3/c1-27-15-9-7-14(8-10-15)23-19-12-17-16(20(25)24-21(17)26)11-18(19)22-13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,24,25,26)
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n/an/a 1.80E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040919
PNG
(5,6-Bis-(biphenyl-4-ylamino)-isoindole-1,3-dione |...)
Show SMILES O=C1NC(=O)c2cc(Nc3ccc(cc3)-c3ccccc3)c(Nc3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C32H23N3O2/c36-31-27-19-29(33-25-15-11-23(12-16-25)21-7-3-1-4-8-21)30(20-28(27)32(37)35-31)34-26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20,33-34H,(H,35,36,37)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040923
PNG
(2-Methyl-5,6-bis-phenylamino-isoindole-1,3-dione |...)
Show SMILES CN1C(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C1=O
Show InChI InChI=1S/C21H17N3O2/c1-24-20(25)16-12-18(22-14-8-4-2-5-9-14)19(13-17(16)21(24)26)23-15-10-6-3-7-11-15/h2-13,22-23H,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040912
PNG
(5,6-Bis-cyclohexylamino-isoindole-1,3-dione | CHEM...)
Show SMILES O=C1NC(=O)c2cc(NC3CCCCC3)c(NC3CCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/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/h11-14,21-22H,1-10H2,(H,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040918
PNG
(5,6-Bis-(methyl-phenyl-amino)-isoindole-1,3-dione ...)
Show SMILES CN(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1N(C)c1ccccc1
Show InChI InChI=1S/C22H19N3O2/c1-24(15-9-5-3-6-10-15)19-13-17-18(22(27)23-21(17)26)14-20(19)25(2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,23,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040921
PNG
(5,6-Bis-(4-diethylamino-phenylamino)-isoindole-1,3...)
Show SMILES CCN(CC)c1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(cc2)N(CC)CC)cc1
Show InChI InChI=1S/C28H33N5O2/c1-5-32(6-2)21-13-9-19(10-14-21)29-25-17-23-24(28(35)31-27(23)34)18-26(25)30-20-11-15-22(16-12-20)33(7-3)8-4/h9-18,29-30H,5-8H2,1-4H3,(H,31,34,35)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040921
PNG
(5,6-Bis-(4-diethylamino-phenylamino)-isoindole-1,3...)
Show SMILES CCN(CC)c1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(cc2)N(CC)CC)cc1
Show InChI InChI=1S/C28H33N5O2/c1-5-32(6-2)21-13-9-19(10-14-21)29-25-17-23-24(28(35)31-27(23)34)18-26(25)30-20-11-15-22(16-12-20)33(7-3)8-4/h9-18,29-30H,5-8H2,1-4H3,(H,31,34,35)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50040925
PNG
(5,6-Bis-(4-methoxy-phenylamino)-isoindole-1,3-dion...)
Show SMILES COc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(OC)cc2)cc1
Show InChI InChI=1S/C22H19N3O4/c1-28-15-7-3-13(4-8-15)23-19-11-17-18(22(27)25-21(17)26)12-20(19)24-14-5-9-16(29-2)10-6-14/h3-12,23-24H,1-2H3,(H,25,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040912
PNG
(5,6-Bis-cyclohexylamino-isoindole-1,3-dione | CHEM...)
Show SMILES O=C1NC(=O)c2cc(NC3CCCCC3)c(NC3CCCCC3)cc12
Show InChI InChI=1S/C20H27N3O2/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/h11-14,21-22H,1-10H2,(H,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(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>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against v-abl tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50040927
PNG
(CHEMBL268441 | N-(1,3-Dioxo-6-phenylamino-2,3-dihy...)
Show SMILES CC(=O)N(c1ccccc1)c1cc2C(=O)NC(=O)c2cc1Nc1ccccc1
Show InChI InChI=1S/C22H17N3O3/c1-14(26)25(16-10-6-3-7-11-16)20-13-18-17(21(27)24-22(18)28)12-19(20)23-15-8-4-2-5-9-15/h2-13,23H,1H3,(H,24,27,28)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibition of EGF-dependent autophosphorylation of EGF-R in human A431 cells


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50040930
PNG
(5,6-Bis-(4-fluoro-phenylamino)-isoindole-1,3-dione...)
Show SMILES Fc1ccc(Nc2cc3C(=O)NC(=O)c3cc2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H13F2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14/h1-10,23-24H,(H,25,26,27)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against c-src tyrosine kinase


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM2583
PNG
(3,4-Bis(3-indolyl)-1H-pyrrole-2,5-dione | 3,4-bis(...)
Show SMILES O=C1NC(=O)C(=C1c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C20H13N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,21-22H,(H,23,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Ciba-Geigy Limited

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD)


J Med Chem 37: 1015-27 (1994)


Article DOI: 10.1021/jm00033a019
BindingDB Entry DOI: 10.7270/Q2M32TTP
More data for this
Ligand-Target Pair
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