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PubMed code 1479375

Compile Data Set for Download or QSAR

Found 215 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase transforming protein FPS


(Fujinami sarcoma virus)
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Fujinami sarcoma virus pp130fps


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of insulin receptor


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292509
PNG
((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O
Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292509
PNG
((8S,11S,14S,17S,20S,23S)-23-((S)-2-((S)-2-((S)-2-a...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c(F)c(F)c(O)c(F)c1F)C(=O)NCC(O)=O
Show InChI InChI=1S/C57H85F4N17O23/c1-23(2)20-33(78-50(96)27(7-5-19-68-57(65)66)71-47(93)26(62)6-4-18-67-56(63)64)55(101)76-32(12-17-39(87)88)54(100)75-31(11-16-38(85)86)53(99)74-30(10-15-37(83)84)52(98)73-29(9-14-36(81)82)51(97)72-28(8-13-35(79)80)49(95)70-24(3)46(92)77-34(48(94)69-22-40(89)90)21-25-41(58)43(60)45(91)44(61)42(25)59/h23-24,26-34,91H,4-22,62H2,1-3H3,(H,69,94)(H,70,95)(H,71,93)(H,72,97)(H,73,98)(H,74,99)(H,75,100)(H,76,101)(H,77,92)(H,78,96)(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H4,63,64,67)(H4,65,66,68)/t24-,26-,27-,28-,29-,30-,31-,32-,33-,34?/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM50048128
PNG
(Asp-Arg-Val-Tyr-Val-His-Pro-Phe (Angiotensin II) |...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C49H69N13O12/c1-26(2)39(60-42(67)33(12-8-18-54-49(51)52)56-41(66)32(50)23-38(64)65)45(70)57-34(20-29-14-16-31(63)17-15-29)43(68)61-40(27(3)4)46(71)58-35(22-30-24-53-25-55-30)47(72)62-19-9-13-37(62)44(69)59-36(48(73)74)21-28-10-6-5-7-11-28/h5-7,10-11,14-17,24-27,32-37,39-40,63H,8-9,12-13,18-23,50H2,1-4H3,(H,53,55)(H,56,66)(H,57,70)(H,58,71)(H,59,69)(H,60,67)(H,61,68)(H,64,65)(H,73,74)(H4,51,52,54)/t32-,33-,34-,35-,36-,37-,39-,40-/m0/s1
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7.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p60 src


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM3973
PNG
(N-[(E)-2-(2,5-dihydroxyphenyl)ethenyl]formamide | ...)
Show SMILES Oc1ccc(O)c(\C=C\NC=O)c1
Show InChI InChI=1S/C9H9NO3/c11-6-10-4-3-7-5-8(12)1-2-9(7)13/h1-6,12-13H,(H,10,11)/b4-3+
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n/an/a 0.550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292520
PNG
(CHEMBL520493 | N-(2-chlorophenyl)-2-cyano-3-(3,4-d...)
Show SMILES Oc1ccc(\C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1O
Show InChI InChI=1S/C16H11ClN2O3/c17-12-3-1-2-4-13(12)19-16(22)11(9-18)7-10-5-6-14(20)15(21)8-10/h1-8,20-21H,(H,19,22)/b11-7-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292493
PNG
(CHEMBL452973 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O
Show InChI InChI=1S/C21H30N8O17P4/c1-10(30)27-13(19(23)33)6-11-2-4-12(5-3-11)28-47(34,35)44-49(38,39)46-50(40,41)45-48(36,37)42-7-14-16(31)17(32)21(43-14)29-9-26-15-18(22)24-8-25-20(15)29/h2-5,8-9,13-14,16-17,21,31-32H,6-7H2,1H3,(H2,23,33)(H,27,30)(H,36,37)(H,38,39)(H,40,41)(H2,22,24,25)(H2,28,34,35)/t13?,14-,16-,17-,21-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4287
PNG
((5-Hydroxy-2-oxo-3-indolinidene)malononitrile | 2-...)
Show SMILES Oc1ccc2NC(=O)C(=C(C#N)C#N)c2c1
Show InChI InChI=1S/C11H5N3O2/c12-4-6(5-13)10-8-3-7(15)1-2-9(8)14-11(10)16/h1-3,15H,(H,14,16)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292521
PNG
(2-cyano-3-(3,4-dihydroxyphenyl)-N-(4-phenylbutyl)a...)
Show SMILES Oc1ccc(\C=C(\C#N)C(=O)NCCCCc2ccccc2)cc1O
Show InChI InChI=1S/C20H20N2O3/c21-14-17(12-16-9-10-18(23)19(24)13-16)20(25)22-11-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,12-13,23-24H,4-5,8,11H2,(H,22,25)/b17-12-
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025607
PNG
(CHEMBL490980)
Show SMILES NC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C16H11NO6/c17-16(22)15-12(7-1-3-8(18)4-2-7)14(21)13-10(20)5-9(19)6-11(13)23-15/h1-6,18-20H,(H2,17,22)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025612
PNG
(CHEMBL490773)
Show SMILES CC(C)OC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C19H16O7/c1-9(2)25-19(24)18-15(10-3-5-11(20)6-4-10)17(23)16-13(22)7-12(21)8-14(16)26-18/h3-9,20-22H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292491
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(N)(=O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C17H18N6O7S/c18-14-11-15(21-6-20-14)23(7-22-11)16-13(25)12(24)10(30-16)5-29-17(26)8-1-3-9(4-2-8)31(19,27)28/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,18,20,21)(H2,19,27,28)/t10-,12-,13-,16-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4301
PNG
((2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide...)
Show SMILES NC(=O)C(=C\c1ccc(O)c(O)c1)\C#N
Show InChI InChI=1S/C10H8N2O3/c11-5-7(10(12)15)3-6-1-2-8(13)9(14)4-6/h1-4,13-14H,(H2,12,15)/b7-3+
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | [(2R,3S,4R,5R)-5-adenin-9-yl-3,4...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p60c-src expressed in chick embryo fibroblast


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4360
PNG
((3,4,5,B-Tetrahydroxybenzylidene)malononitrile | 2...)
Show SMILES Oc1cc(cc(O)c1O)C(=O)C(C#N)C#N
Show InChI InChI=1S/C10H6N2O4/c11-3-6(4-12)9(15)5-1-7(13)10(16)8(14)2-5/h1-2,6,13-14,16H
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025605
PNG
(CHEMBL483830)
Show SMILES OC(=O)c1cc(ccc1O)N(Cc1cc(O)ccc1O)Cc1cc(O)ccc1O
Show InChI InChI=1S/C21H19NO7/c23-15-2-5-18(25)12(7-15)10-22(11-13-8-16(24)3-6-19(13)26)14-1-4-20(27)17(9-14)21(28)29/h1-9,23-27H,10-11H2,(H,28,29)
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50011446
PNG
(2-(4-Hydroxy-phenyl)-chromen-4-one | 2-(4-hydroxyp...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H10O3/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9,16H
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025500
PNG
(CHEMBL485283 | N-(2-Hydroxystyryl)Formamide)
Show SMILES Oc1ccccc1\C=C\NC=O
Show InChI InChI=1S/C9H9NO2/c11-7-10-6-5-8-3-1-2-4-9(8)12/h1-7,12H,(H,10,11)/b6-5+
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4364
PNG
((3Z)-2-amino-3-[(4-hydroxyphenyl)methylidene]prop-...)
Show SMILES Oc1ccc(C=C(C#N)C(=N)C(C#N)C#N)cc1
Show InChI InChI=1S/C13H8N4O/c14-6-10(13(17)11(7-15)8-16)5-9-1-3-12(18)4-2-9/h1-5,11,17-18H
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292523
PNG
(2-(3,4-dihydroxyphenyl)ethene-1,1,2-tricarbonitril...)
Show SMILES Oc1ccc(cc1O)C(C#N)=C(C#N)C#N
Show InChI InChI=1S/C11H5N3O2/c12-4-8(5-13)9(6-14)7-1-2-10(15)11(16)3-7/h1-3,15-16H
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025502
PNG
(CHEMBL485483 | N-(4-Hydroxystyryl)Formamide)
Show SMILES Oc1ccc(\C=C\NC=O)cc1
Show InChI InChI=1S/C9H9NO2/c11-7-10-6-5-8-1-3-9(12)4-2-8/h1-7,12H,(H,10,11)/b6-5+
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50011438
PNG
(2-(4-Amino-phenyl)-7-hydroxy-chromen-4-one | 2-(4-...)
Show SMILES Nc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H11NO3/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,17H,16H2
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025590
PNG
(CHEMBL485475)
Show SMILES Oc1ccc(cc1)-c1c(CN2CCCCC2)oc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C21H21NO5/c23-14-6-4-13(5-7-14)19-18(12-22-8-2-1-3-9-22)27-17-11-15(24)10-16(25)20(17)21(19)26/h4-7,10-11,23-25H,1-3,8-9,12H2
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025487
PNG
(CHEMBL503768 | N-(3-Hydroxystyryl)Formamide)
Show SMILES Oc1cccc(\C=C\NC=O)c1
Show InChI InChI=1S/C9H9NO2/c11-7-10-5-4-8-2-1-3-9(12)6-8/h1-7,12H,(H,10,11)/b5-4+
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n/an/a>1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50279860
PNG
(CHEMBL46946 | N-(3,4-dihydroxystyryl)formamide | N...)
Show SMILES Oc1ccc(\C=C\NC=O)cc1O
Show InChI InChI=1S/C9H9NO3/c11-6-10-4-3-7-1-2-8(12)9(13)5-7/h1-6,12-13H,(H,10,11)/b4-3+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292522
PNG
(2-(3,5-dihydroxyphenyl)ethene-1,1,2-tricarbonitril...)
Show SMILES Oc1cc(O)cc(c1)C(C#N)=C(C#N)C#N
Show InChI InChI=1S/C11H5N3O2/c12-4-8(5-13)11(6-14)7-1-9(15)3-10(16)2-7/h1-3,15-16H
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM26659
PNG
(7,3-dihydroxyflavone | 7-hydroxy-2-(3-hydroxypheny...)
Show SMILES Oc1cccc(c1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
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TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50025565
PNG
(CHEMBL449602)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2ccc(O)c(O)c2o1
Show InChI InChI=1S/C18H16O7/c1-22-14-6-9(7-15(23-2)18(14)24-3)13-8-12(20)10-4-5-11(19)16(21)17(10)25-13/h4-8,19,21H,1-3H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025622
PNG
(PSI-TECTORIGENIN | Psi-Tectorigenin)
Show SMILES COc1c(O)cc(O)c2c1occ(-c1ccc(O)cc1)c2=O
Show InChI InChI=1S/C16H12O6/c1-21-15-12(19)6-11(18)13-14(20)10(7-22-16(13)15)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292492
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O
Show InChI InChI=1S/C28H29N7O10S/c1-14(36)34-19(25(30)39)10-15-2-6-17(7-3-15)45-46(41,42)18-8-4-16(5-9-18)28(40)43-11-20-22(37)23(38)27(44-20)35-13-33-21-24(29)31-12-32-26(21)35/h2-9,12-13,19-20,22-23,27,37-38H,10-11H2,1H3,(H2,30,39)(H,34,36)(H2,29,31,32)/t19?,20-,22-,23-,27-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

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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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292494
PNG
(CHEMBL485064 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)Oc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H20N5O13P3/c17-14-11-15(19-7-18-14)21(8-20-11)16-13(23)12(22)10(31-16)6-30-35(24,25)33-37(28,29)34-36(26,27)32-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,22-23H,6H2,(H,24,25)(H,26,27)(H,28,29)(H2,17,18,19)/t10-,12-,13-,16-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292480
PNG
(CHEMBL445698 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1
Show InChI InChI=1S/C17H24N6O15P4/c1-9-2-4-10(5-3-9)22-39(26,27)36-41(30,31)38-42(32,33)37-40(28,29)34-6-11-13(24)14(25)17(35-11)23-8-21-12-15(18)19-7-20-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292517
PNG
(2-cyano-3-(3-ethoxy-4-hydroxy-5-(p-tolylthiomethyl...)
Show SMILES CCOc1cc(\C=C(/C#N)C(N)=O)cc(CSc2ccc(C)cc2)c1O
Show InChI InChI=1S/C20H20N2O3S/c1-3-25-18-10-14(8-15(11-21)20(22)24)9-16(19(18)23)12-26-17-6-4-13(2)5-7-17/h4-10,23H,3,12H2,1-2H3,(H2,22,24)/b15-8+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50011437
PNG
(2-(4-Amino-phenyl)-chromen-4-one | 2-(4-aminopheny...)
Show SMILES Nc1ccc(cc1)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C15H11NO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H,16H2
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TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025624
PNG
(CHEMBL17329 | Methyl 2,5-Dihydroxycinnamate | Meth...)
Show SMILES COC(=O)\C=C\c1cc(O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-10(13)5-2-7-6-8(11)3-4-9(7)12/h2-6,11-12H,1H3/b5-2+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025620
PNG
(CHEMBL443171)
Show SMILES OC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C16H10O7/c17-8-3-1-7(2-4-8)12-14(20)13-10(19)5-9(18)6-11(13)23-15(12)16(21)22/h1-6,17-19H,(H,21,22)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025619
PNG
(CHEMBL521472)
Show SMILES Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O5/c1-8-14(9-2-4-10(17)5-3-9)16(20)15-12(19)6-11(18)7-13(15)21-8/h2-7,17-19H,1H3
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50292481
PNG
(4-(2-nitrovinyl)phenyl 4-((S)-1-((S)-1-(2-aminoeth...)
Show SMILES CC(NC(=O)C(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,(H3-,25,26,27,29,30,31,34,35)/b14-11+
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TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR in human A431 cells


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50025617
PNG
(CHEMBL491389)
Show SMILES COc1cc(cc(OC)c1O[Si](C)(C)C(C)(C)C)-c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C23H28O6Si/c1-23(2,3)30(6,7)29-22-20(26-4)10-14(11-21(22)27-5)19-13-17(25)16-12-15(24)8-9-18(16)28-19/h8-13,24H,1-7H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292481
PNG
(4-(2-nitrovinyl)phenyl 4-((S)-1-((S)-1-(2-aminoeth...)
Show SMILES CC(NC(=O)C(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,(H3-,25,26,27,29,30,31,34,35)/b14-11+
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292498
PNG
(CHEMBL486679 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...)
Show SMILES Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1
Show InChI InChI=1S/C17H23N6O12P3/c1-9-2-4-10(5-3-9)22-36(26,27)34-38(30,31)35-37(28,29)32-6-11-13(24)14(25)17(33-11)23-8-21-12-15(18)19-7-20-16(12)23/h2-5,7-8,11,13-14,17,24-25H,6H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50077323
PNG
(7,4'-Dihydroxyflavone | 7-hydroxy-2-(4-hydroxyphen...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-8,16-17H
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (human))
BDBM50025558
PNG
(CHEMBL519022)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(O)ccc2o1
Show InChI InChI=1S/C18H16O6/c1-21-16-6-10(7-17(22-2)18(16)23-3)15-9-13(20)12-8-11(19)4-5-14(12)24-15/h4-9,19H,1-3H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p56 lck


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025613
PNG
(CHEMBL489139)
Show SMILES CCOC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C18H14O7/c1-2-24-18(23)17-14(9-3-5-10(19)6-4-9)16(22)15-12(21)7-11(20)8-13(15)25-17/h3-8,19-21H,2H2,1H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM50025611
PNG
(CHEMBL522082)
Show SMILES COC(=O)c1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C17H12O7/c1-23-17(22)16-13(8-2-4-9(18)5-3-8)15(21)14-11(20)6-10(19)7-12(14)24-16/h2-7,18-20H,1H3
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of EGFR


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase V-ABL


(Abelson murine leukemia virus)
BDBM50292496
PNG
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)Nc2ccccc2)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C23H22N6O7S/c24-20-17-21(26-11-25-20)29(12-27-17)22-19(31)18(30)16(36-22)10-35-23(32)13-6-8-15(9-7-13)37(33,34)28-14-4-2-1-3-5-14/h1-9,11-12,16,18-19,22,28,30-31H,10H2,(H2,24,25,26)/t16-,18-,19-,22-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Abelson murine leukemia virus p60 v-abl


J Nat Prod 55: 1529-1560 (1992)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 215 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%