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Compile Data Set for Download or QSAR

Found 109 hits from Ciba-Geigy Ltd.   
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
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM201
PNG
((2S)-N-[(2S,3S)-4-[(2S)-N'-(cyclohexylmethyl)-2-ac...)
Show SMILES CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(C)=O)C(C)C
Show InChI InChI=1S/C31H51N5O5/c1-20(2)28(32-22(5)37)30(40)34-26(17-24-13-9-7-10-14-24)27(39)19-36(18-25-15-11-8-12-16-25)35-31(41)29(21(3)4)33-23(6)38/h7,9-10,13-14,20-21,25-29,39H,8,11-12,15-19H2,1-6H3,(H,32,37)(H,33,38)(H,34,40)(H,35,41)/t26-,27-,28-,29-/m0/s1
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Article
PubMed
n/an/a 8.5n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM213
PNG
(2-Methyl-4-[[N-(methoxycarbonyl)-L-valinyl]amino]-...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
Show InChI InChI=1S/C35H47N7O7/c1-21(2)19-42(41-34(47)31(22(3)4)40-35(48)49-5)20-29(43)27(17-23-11-7-6-8-12-23)38-33(46)28(18-30(36)44)39-32(45)26-16-15-24-13-9-10-14-25(24)37-26/h6-16,21-22,27-29,31,43H,17-20H2,1-5H3,(H2,36,44)(H,38,46)(H,39,45)(H,40,48)(H,41,47)/t27-,28-,29-,31-/m0/s1
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n/an/a 23n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM206
PNG
(1-Cyclohexyl-2-N-[[(methoxycarbonyl)-L-valinyl]ami...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1
Show InChI InChI=1S/C38H51N7O7/c1-24(2)34(43-38(51)52-3)37(50)44-45(22-26-14-8-5-9-15-26)23-32(46)30(20-25-12-6-4-7-13-25)41-36(49)31(21-33(39)47)42-35(48)29-19-18-27-16-10-11-17-28(27)40-29/h4,6-7,10-13,16-19,24,26,30-32,34,46H,5,8-9,14-15,20-23H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,50)/t30-,31-,32-,34-/m0/s1
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n/an/a 27n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM214
PNG
(1-(4-Methoxyphenyl)-2-[[N-(methoxycarbonyl)-L-vali...)
Show SMILES COC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)Cc1ccc(OC)cc1
Show InChI InChI=1S/C39H47N7O8/c1-24(2)35(44-39(52)54-4)38(51)45-46(22-26-14-17-28(53-3)18-15-26)23-33(47)31(20-25-10-6-5-7-11-25)42-37(50)32(21-34(40)48)43-36(49)30-19-16-27-12-8-9-13-29(27)41-30/h5-19,24,31-33,35,47H,20-23H2,1-4H3,(H2,40,48)(H,42,50)(H,43,49)(H,44,52)(H,45,51)/t31-,32-,33-,35-/m0/s1
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n/an/a 31n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM216
PNG
(2-Methyl-4-[[N-(benzyloxycarbonyl)-L-valinyl]amino...)
Show SMILES CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Show InChI InChI=1S/C41H51N7O7/c1-26(2)23-48(47-40(53)37(27(3)4)46-41(54)55-25-29-15-9-6-10-16-29)24-35(49)33(21-28-13-7-5-8-14-28)44-39(52)34(22-36(42)50)45-38(51)32-20-19-30-17-11-12-18-31(30)43-32/h5-20,26-27,33-35,37,49H,21-25H2,1-4H3,(H2,42,50)(H,44,52)(H,45,51)(H,46,54)(H,47,53)/t33-,34-,35-,37-/m0/s1
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n/an/a 37n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM215
PNG
(1-Cyclohexyl-2-[[N-(benzyloxycarbonyl)-L-valinyl]a...)
Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1
Show InChI InChI=1S/C44H55N7O7/c1-29(2)40(49-44(57)58-28-32-18-10-5-11-19-32)43(56)50-51(26-31-16-8-4-9-17-31)27-38(52)36(24-30-14-6-3-7-15-30)47-42(55)37(25-39(45)53)48-41(54)35-23-22-33-20-12-13-21-34(33)46-35/h3,5-7,10-15,18-23,29,31,36-38,40,52H,4,8-9,16-17,24-28H2,1-2H3,(H2,45,53)(H,47,55)(H,48,54)(H,49,57)(H,50,56)/t36-,37-,38-,40-/m0/s1
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n/an/a 41n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM217
PNG
(1-(4-Methoxyphenyl)-2-[[N-(benzyloxycarbonyl)-L-va...)
Show SMILES COc1ccc(CN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3n2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1
Show InChI InChI=1S/C45H51N7O8/c1-29(2)41(50-45(58)60-28-32-14-8-5-9-15-32)44(57)51-52(26-31-18-21-34(59-3)22-19-31)27-39(53)37(24-30-12-6-4-7-13-30)48-43(56)38(25-40(46)54)49-42(55)36-23-20-33-16-10-11-17-35(33)47-36/h4-23,29,37-39,41,53H,24-28H2,1-3H3,(H2,46,54)(H,48,56)(H,49,55)(H,50,58)(H,51,57)/t37-,38-,39-,41-/m0/s1
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n/an/a 49n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007064
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-14-9-12(5-6-13(14)15(18)19)25(22,23)24-11-3-1-10(2-4-11)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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KEGG

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n/an/a 54n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM207
PNG
(1-Cyclohexyl-2-[[N-(ethoxycarbonyl)-L-valinyl]amin...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1
Show InChI InChI=1S/C32H53N5O7/c1-7-44-32(42)35-28(22(4)5)30(40)36-37(19-24-16-12-9-13-17-24)20-26(38)25(18-23-14-10-8-11-15-23)33-29(39)27(21(2)3)34-31(41)43-6/h8,10-11,14-15,21-22,24-28,38H,7,9,12-13,16-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t25-,26-,27-,28-/m0/s1
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n/an/a 56n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM211
PNG
(2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyc...)
Show SMILES COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C33H55N5O8/c1-22(2)28(36-33(43)46-18-17-44-5)30(40)34-26(19-24-13-9-7-10-14-24)27(39)21-38(20-25-15-11-8-12-16-25)37-31(41)29(23(3)4)35-32(42)45-6/h7,9-10,13-14,22-23,25-29,39H,8,11-12,15-21H2,1-6H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29-/m0/s1
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PubMed
n/an/a 62n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM205
PNG
(2-(2-methoxyethoxy)ethyl N-[(1S)-1-{[(2S,3S)-4-[(2...)
Show SMILES COCCOCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOCCOC)C(C)C
Show InChI InChI=1S/C39H67N5O11/c1-28(2)34(41-38(48)54-23-21-52-19-17-50-5)36(46)40-32(25-30-13-9-7-10-14-30)33(45)27-44(26-31-15-11-8-12-16-31)43-37(47)35(29(3)4)42-39(49)55-24-22-53-20-18-51-6/h7,9-10,13-14,28-29,31-35,45H,8,11-12,15-27H2,1-6H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t32-,33-,34-,35-/m0/s1
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n/an/a 67n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM208
PNG
(CGP 53820 analog | methyl N-[(1S)-1-{[(2S,3S)-4-[(...)
Show SMILES COCCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)C)CC1CCCCC1
Show InChI InChI=1S/C33H55N5O8/c1-22(2)28(35-32(42)45-6)30(40)34-26(19-24-13-9-7-10-14-24)27(39)21-38(20-25-15-11-8-12-16-25)37-31(41)29(23(3)4)36-33(43)46-18-17-44-5/h7,9-10,13-14,22-23,25-29,39H,8,11-12,15-21H2,1-6H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 67n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM209
PNG
(CGP 53820 analog | ethyl N-[(1S)-1-{[(2S,3S)-4-[(2...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OC)C(C)C
Show InChI InChI=1S/C32H53N5O7/c1-7-44-32(42)35-27(21(2)3)29(39)33-25(18-23-14-10-8-11-15-23)26(38)20-37(19-24-16-12-9-13-17-24)36-30(40)28(22(4)5)34-31(41)43-6/h8,10-11,14-15,21-22,24-28,38H,7,9,12-13,16-20H2,1-6H3,(H,33,39)(H,34,41)(H,35,42)(H,36,40)/t25-,26-,27-,28-/m0/s1
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n/an/a 76n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM218
PNG
(1-Cyclohexyl-2-[[N-(ethoxycarbonyl)-L-valinyl]amin...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1)CC1CCCCC1
Show InChI InChI=1S/C39H53N7O7/c1-4-53-39(52)44-35(25(2)3)38(51)45-46(23-27-15-9-6-10-16-27)24-33(47)31(21-26-13-7-5-8-14-26)42-37(50)32(22-34(40)48)43-36(49)30-20-19-28-17-11-12-18-29(28)41-30/h5,7-8,11-14,17-20,25,27,31-33,35,47H,4,6,9-10,15-16,21-24H2,1-3H3,(H2,40,48)(H,42,50)(H,43,49)(H,44,52)(H,45,51)/t31-,32-,33-,35-/m0/s1
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n/an/a 126n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM212
PNG
(2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyc...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)NN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C)CC1CCCCC1
Show InChI InChI=1S/C34H57N5O8/c1-7-46-33(43)37-30(24(4)5)32(42)38-39(21-26-16-12-9-13-17-26)22-28(40)27(20-25-14-10-8-11-15-25)35-31(41)29(23(2)3)36-34(44)47-19-18-45-6/h8,10-11,14-15,23-24,26-30,40H,7,9,12-13,16-22H2,1-6H3,(H,35,41)(H,36,44)(H,37,43)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 134n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM210
PNG
(CGP 53820 analog | ethyl N-[(1S)-1-{[(2S,3S)-4-[(2...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C
Show InChI InChI=1S/C34H57N5O8/c1-7-46-33(43)36-29(23(2)3)31(41)35-27(20-25-14-10-8-11-15-25)28(40)22-39(21-26-16-12-9-13-17-26)38-32(42)30(24(4)5)37-34(44)47-19-18-45-6/h8,10-11,14-15,23-24,26-30,40H,7,9,12-13,16-22H2,1-6H3,(H,35,41)(H,36,43)(H,37,44)(H,38,42)/t27-,28-,29-,30-/m0/s1
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n/an/a 150n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM204
PNG
(2-methoxyethyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-N'-(cyc...)
Show SMILES COCCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCCOC)C(C)C
Show InChI InChI=1S/C35H59N5O9/c1-24(2)30(37-34(44)48-19-17-46-5)32(42)36-28(21-26-13-9-7-10-14-26)29(41)23-40(22-27-15-11-8-12-16-27)39-33(43)31(25(3)4)38-35(45)49-20-18-47-6/h7,9-10,13-14,24-25,27-31,41H,8,11-12,15-23H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t28-,29-,30-,31-/m0/s1
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n/an/a 164n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM202
PNG
(CGP 53820 analog | CHEMBL324572 | ethyl N-[(1S)-1-...)
Show SMILES CCOC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCC)C(C)C
Show InChI InChI=1S/C33H55N5O7/c1-7-44-32(42)35-28(22(3)4)30(40)34-26(19-24-15-11-9-12-16-24)27(39)21-38(20-25-17-13-10-14-18-25)37-31(41)29(23(5)6)36-33(43)45-8-2/h9,11-12,15-16,22-23,25-29,39H,7-8,10,13-14,17-21H2,1-6H3,(H,34,40)(H,35,42)(H,36,43)(H,37,41)/t26-,27-,28-,29-/m0/s1
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n/an/a 177n/an/an/an/a6.037



Ciba-Geigy Ltd.



Assay Description
A peptide cleavage assay was performed using the icosapeptide H-Arg-Arg-Ser-Asn-Gln-Val-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Asn-Ile-Gln-Gly-Arg-Arg-OH, a...


J Med Chem 39: 3203-16 (1996)


Article DOI: 10.1021/jm960022p
BindingDB Entry DOI: 10.7270/Q2FT8J7Q
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007083
PNG
(3-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(c(O)c1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-13-9-11(15(18)19)3-6-14(13)25(22,23)24-12-4-1-10(2-5-12)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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n/an/a 310n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007072
PNG
(4-(2-nitrovinyl)phenyl 4-(methylcarbamoyl)benzenes...)
Show SMILES CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H14N2O6S/c1-17-16(19)13-4-8-15(9-5-13)25(22,23)24-14-6-2-12(3-7-14)10-11-18(20)21/h2-11H,1H3,(H-,17,19,22,23)/b11-10+
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n/an/a 400n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292501
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(=O)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C26H24N6O11S/c1-40-18-10-14(8-9-32(36)37)2-7-17(18)43-44(38,39)16-5-3-15(4-6-16)26(35)41-11-19-21(33)22(34)25(42-19)31-13-30-20-23(27)28-12-29-24(20)31/h2-10,12-13,19,21-22,25,33-34H,11H2,1H3,(H2-,27,28,29,38,39)/b9-8+
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n/an/a 500n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292500
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)C1OC(COC(=O)c2ccc(cc2)[S+]([O-])(=O)Oc2ccc(\C=C\[N+]([O-])=O)cc2)C(O)C1O
Show InChI InChI=1S/C25H22N6O10S/c26-22-19-23(28-12-27-22)30(13-29-19)24-21(33)20(32)18(40-24)11-39-25(34)15-3-7-17(8-4-15)42(37,38)41-16-5-1-14(2-6-16)9-10-31(35)36/h1-10,12-13,18,20-21,24,32-33H,11H2,(H2-,26,27,28,37,38)/b10-9+
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n/an/a 600n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM92633
PNG
(Thiazolidine-dione, 2)
Show SMILES CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C
Show InChI InChI=1S/C12H14N4O2S2/c1-7(2)5-16-10(18)8(3)20-12(16)14-13-11-15(4)9(17)6-19-11/h6,17H,1,3,5H2,2,4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
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 Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007075
PNG
(4-(4-(2-nitrovinyl)phenoxysulfonyl)benzoic acid | ...)
Show SMILES OC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO7S/c17-15(18)12-3-7-14(8-4-12)24(21,22)23-13-5-1-11(2-6-13)9-10-16(19)20/h1-10H,(H-,17,18,21,22)/b10-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007073
PNG
(4-tert-Butylcarbamoyl-benzenesulfonic acid 4-(2-ni...)
Show SMILES CC(C)(C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O6S/c1-19(2,3)20-18(22)15-6-10-17(11-7-15)28(25,26)27-16-8-4-14(5-9-16)12-13-21(23)24/h4-13H,1-3H3,(H,20,22)/b13-12+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007076
PNG
(4-(2-nitrovinyl)phenyl 4-(2-(tert-butoxycarbonylam...)
Show SMILES CC(C)(C)OC(=O)NCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(C=C[N+]([O-])=O)cc1
Show InChI InChI=1S/C22H25N3O8S/c1-22(2,3)32-21(27)24-14-13-23-20(26)17-6-10-19(11-7-17)34(30,31)33-18-8-4-16(5-9-18)12-15-25(28)29/h4-12,15H,13-14H2,1-3H3,(H2-,23,24,26,27,30,31)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007081
PNG
(4-[4-(2-Nitro-vinyl)-phenoxysulfonyl]-benzoic acid...)
Show SMILES COC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13NO7S/c1-23-16(18)13-4-8-15(9-5-13)25(21,22)24-14-6-2-12(3-7-14)10-11-17(19)20/h2-11H,1H3/b11-10+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007070
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES COC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C16H13NO8S/c1-24-16(19)14-7-6-13(10-15(14)18)26(22,23)25-12-4-2-11(3-5-12)8-9-17(20)21/h2-10H,1H3,(H-,18,19,22,23)/b9-8+
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n/an/a 1.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM92634
PNG
(Thiazolidine-dione, 3)
Show SMILES CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O
Show InChI InChI=1S/C14H21N5O2S2/c1-9(2)6-19-12(21)10(7-17(3)4)23-14(19)16-15-13-18(5)11(20)8-22-13/h8,20-21H,1,6-7H2,2-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007087
PNG
(4-(2-methoxy-4-(2-nitroprop-1-enyl)phenoxysulfonyl...)
Show SMILES COc1cc(\C=C(/C)[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H15NO8S/c1-11(18(21)22)9-12-3-8-15(16(10-12)25-2)26-27(23,24)14-6-4-13(5-7-14)17(19)20/h3-10H,1-2H3,(H-,19,20,23,24)/b11-9+
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n/an/a 2.50E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007077
PNG
(4-(2-methoxy-4-(2-nitrovinyl)phenoxysulfonyl)benzo...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O[S+]([O-])(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C16H13NO8S/c1-24-15-10-11(8-9-17(20)21)2-7-14(15)25-26(22,23)13-5-3-12(4-6-13)16(18)19/h2-10H,1H3,(H-,18,19,22,23)/b9-8+
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n/an/a 2.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM92633
PNG
(Thiazolidine-dione, 2)
Show SMILES CC(=C)CN1C(SC(=C)C1=O)=NN=c1scc(O)n1C
Show InChI InChI=1S/C12H14N4O2S2/c1-7(2)5-16-10(18)8(3)20-12(16)14-13-11-15(4)9(17)6-19-11/h6,17H,1,3,5H2,2,4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM92632
PNG
(Thiazolidine-dione, 1)
Show SMILES Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C
Show InChI InChI=1S/C11H12N4O2S2/c1-4-5-15-9(17)7(2)19-11(15)13-12-10-14(3)8(16)6-18-10/h4,6,16H,1-2,5H2,3H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007084
PNG
(2-methoxy-4-(2-nitroprop-1-enyl)phenyl 4-(methylca...)
Show SMILES CNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C(/C)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C18H18N2O7S/c1-12(20(22)23)10-13-4-9-16(17(11-13)26-3)27-28(24,25)15-7-5-14(6-8-15)18(21)19-2/h4-11H,1-3H3,(H-,19,21,24,25)/b12-10+
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007074
PNG
(4-(2-nitrovinyl)phenyl 4-(butylcarbamoyl)benzenesu...)
Show SMILES CCCCNC(=O)c1ccc(cc1)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H20N2O6S/c1-2-3-13-20-19(22)16-6-10-18(11-7-16)28(25,26)27-17-8-4-15(5-9-17)12-14-21(23)24/h4-12,14H,2-3,13H2,1H3,(H-,20,22,25,26)/b14-12+
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n/an/a 4.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50007080
PNG
(4-(2-Amino-ethylcarbamoyl)-benzenesulfonic acid 4-...)
Show SMILES NCCNC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H17N3O6S/c18-10-11-19-17(21)14-3-7-16(8-4-14)27(24,25)26-15-5-1-13(2-6-15)9-12-20(22)23/h1-9,12H,10-11,18H2,(H,19,21)/b12-9+
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007080
PNG
(4-(2-Amino-ethylcarbamoyl)-benzenesulfonic acid 4-...)
Show SMILES NCCNC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C17H17N3O6S/c18-10-11-19-17(21)14-3-7-16(8-4-14)27(24,25)26-15-5-1-13(2-6-15)9-12-20(22)23/h1-9,12H,10-11,18H2,(H,19,21)/b12-9+
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n/an/a 5.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM92632
PNG
(Thiazolidine-dione, 1)
Show SMILES Cn1c(O)csc1=NN=C1SC(=C)C(=O)N1CC=C
Show InChI InChI=1S/C11H12N4O2S2/c1-4-5-15-9(17)7(2)19-11(15)13-12-10-14(3)8(16)6-18-10/h4,6,16H,1-2,5H2,3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK


(Homo sapiens (human))
BDBM92634
PNG
(Thiazolidine-dione, 3)
Show SMILES CN(C)Cc1sc(=NN=c2scc(O)n2C)n(CC(C)=C)c1O
Show InChI InChI=1S/C14H21N5O2S2/c1-9(2)6-19-12(21)10(7-17(3)4)23-14(19)16-15-13-18(5)11(20)8-22-13/h8,20-21H,1,6-7H2,2-5H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007067
PNG
(2-[1-(4-{4-[2-nitro-(E)-1-ethenyl]phenyloxysulfony...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
Show InChI InChI=1S/C21H21N3O9S/c1-13(19(25)23-14(2)21(27)28)22-20(26)16-5-9-18(10-6-16)34(31,32)33-17-7-3-15(4-8-17)11-12-24(29)30/h3-14H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b12-11+/t13-,14-/m1/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007082
PNG
((E)-2-methoxy-4-(2-nitrovinyl)phenol | 2-Methoxy-4...)
Show SMILES COc1cc(\C=C\[N+]([O-])=O)ccc1O
Show InChI InChI=1S/C9H9NO4/c1-14-9-6-7(2-3-8(9)11)4-5-10(12)13/h2-6,11H,1H3/b5-4+
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n/an/a 7.90E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007069
PNG
(4-(2-Nitro-vinyl)-benzene-1,2-diol | 4-(2-nitrovin...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1O
Show InChI InChI=1S/C8H7NO4/c10-7-2-1-6(5-8(7)11)3-4-9(12)13/h1-5,10-11H/b4-3+
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n/an/a 8.80E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007078
PNG
(4-(2-Nitro-propenyl)-benzene-1,2-diol | 4-(2-nitro...)
Show SMILES C\C(=C/c1ccc(O)c(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C9H9NO4/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5,11-12H,1H3/b6-4+
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n/an/a 9.40E+3n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007085
PNG
((E)-4-(2-nitrovinyl)phenol | 4-(2-Nitro-vinyl)-phe...)
Show SMILES Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C8H7NO3/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,10H/b6-5+
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n/an/a 1.01E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(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 1.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.



Assay Description
Determination of EGF receptor kinase activity was performed as described using A431 membranes as the enzyme source and agiotensin II as substrate.


J Biol Chem 265: 22255-61 (1990)


BindingDB Entry DOI: 10.7270/Q2319TGH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50007079
PNG
(1-{4-[1-[1-(2-aminoethylcarbamoyl)-(1R)-ethylcarba...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)NCCN
Show InChI InChI=1S/C23H27N5O8S/c1-15(21(29)25-13-12-24)26-22(30)16(2)27-23(31)18-5-9-20(10-6-18)37(34,35)36-19-7-3-17(4-8-19)11-14-28(32)33/h3-11,14-16H,12-13,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/b14-11+/t15-,16-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50007079
PNG
(1-{4-[1-[1-(2-aminoethylcarbamoyl)-(1R)-ethylcarba...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(=O)NCCN
Show InChI InChI=1S/C23H27N5O8S/c1-15(21(29)25-13-12-24)26-22(30)16(2)27-23(31)18-5-9-20(10-6-18)37(34,35)36-19-7-3-17(4-8-19)11-14-28(32)33/h3-11,14-16H,12-13,24H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)/b14-11+/t15-,16-/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of the epidermal growth factor receptor expressed in A431 cell line


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50007064
PNG
(2-Hydroxy-4-[4-(2-nitro-vinyl)-phenoxysulfonyl]-be...)
Show SMILES OC(=O)c1ccc(cc1O)[S+]([O-])(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H11NO8S/c17-14-9-12(5-6-13(14)15(18)19)25(22,23)24-11-3-1-10(2-4-11)7-8-16(20)21/h1-9H,(H2-,17,18,19,22,23)/b8-7+
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n/an/a 2.70E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL


(Homo sapiens (Human))
BDBM50007067
PNG
(2-[1-(4-{4-[2-nitro-(E)-1-ethenyl]phenyloxysulfony...)
Show SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
Show InChI InChI=1S/C21H21N3O9S/c1-13(19(25)23-14(2)21(27)28)22-20(26)16-5-9-18(10-6-16)34(31,32)33-17-7-3-15(4-8-17)11-12-24(29)30/h3-14H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b12-11+/t13-,14-/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Ciba-Geigy Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant v-Abl tyrosine kinase.


J Med Chem 34: 2328-37 (1991)


Article DOI: 10.1021/jm00112a003
BindingDB Entry DOI: 10.7270/Q24F1RB9
More data for this
Ligand-Target Pair
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