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Compile Data Set for Download or QSAR

Found 112 hits with Last Name = 'pellegrino' and Initial = 'l'   
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
Pirin


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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28n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Pirin


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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190n/an/an/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of bisamide probe binding to pirin in human SKOV3 cells by SILAC-based quantitative mass spectrometry pull down assay


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 2.80n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human U20S cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addit...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234073
PNG
(CHEMBL4063330)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ncccc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h2-10,13-15H,11-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 12n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 19n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 19n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234085
PNG
(CHEMBL4102297)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN)ccc2c1
Show InChI InChI=1S/C28H26N4O5/c1-17-2-6-21(30-27(33)20-4-8-24-25(15-20)36-13-12-35-24)16-23(17)32-28(34)19-3-7-22-18(14-19)5-9-26(31-22)37-11-10-29/h2-9,14-16H,10-13,29H2,1H3,(H,30,33)(H,32,34)
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n/an/a 26n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071664
PNG
(5-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Br2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 32n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234078
PNG
(CHEMBL4087666)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2nc(OCCN3CCCC3)ccc2c1
Show InChI InChI=1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-11,18-20H,2-3,12-17H2,1H3,(H,33,37)(H,35,38)
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n/an/a 40n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSPA1A mRNA level preincubated for 1 hr followed by 17-AAG ad...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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n/an/a 51n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234090
PNG
(CHEMBL4069552)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2ccncc2c1
Show InChI InChI=1S/C26H21N3O4/c1-16-2-6-21(28-25(30)19-5-7-23-24(13-19)33-11-10-32-23)14-22(16)29-26(31)18-4-3-17-8-9-27-15-20(17)12-18/h2-9,12-15H,10-11H2,1H3,(H,28,30)(H,29,31)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 68n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 68n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071667
PNG
(5-Amino-2-[1-(3,5-dichloro-4-hydroxy-phenyl)-meth-...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 102n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071666
PNG
(2-(3,5-Dibromo-4-hydroxy-benzylidene)-5,6-dimethox...)
Show SMILES COc1cc2C(=O)C(=Cc3cc(Br)c(O)c(Br)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H12Br2O5/c1-24-14-6-9-10(7-15(14)25-2)17(22)11(16(9)21)3-8-4-12(19)18(23)13(20)5-8/h3-7,23H,1-2H3
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n/an/a 110n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
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n/an/a 115n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234083
PNG
(CHEMBL4070302)
Show SMILES CCC(=O)NCCOc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C31H30N4O6/c1-3-28(36)32-12-13-41-29-11-7-20-16-21(5-9-24(20)34-29)31(38)35-25-18-23(8-4-19(25)2)33-30(37)22-6-10-26-27(17-22)40-15-14-39-26/h4-11,16-18H,3,12-15H2,1-2H3,(H,32,36)(H,33,37)(H,35,38)
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n/an/a 120n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071677
PNG
(2-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(E)-ylide...)
Show SMILES COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C17H10Br2O4/c1-23-9-2-3-10-11(7-9)16(21)12(15(10)20)4-8-5-13(18)17(22)14(19)6-8/h2-7,22H,1H3/b12-4+
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n/an/a 144n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234079
PNG
(CHEMBL4096048)
Show SMILES Cc1ccc(NC(=O)c2ccc3OCCOc3c2)cc1NC(=O)c1ccc2NCCCc2c1
Show InChI InChI=1S/C26H25N3O4/c1-16-4-7-20(28-25(30)19-6-9-23-24(14-19)33-12-11-32-23)15-22(16)29-26(31)18-5-8-21-17(13-18)3-2-10-27-21/h4-9,13-15,27H,2-3,10-12H2,1H3,(H,28,30)(H,29,31)
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n/an/a 224n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071668
PNG
(2-(3,5-Dichloro-4-hydroxy-benzylidene)-5,6-dimetho...)
Show SMILES COc1cc2C(=O)C(=Cc3cc(Cl)c(O)c(Cl)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H12Cl2O5/c1-24-14-6-9-10(7-15(14)25-2)17(22)11(16(9)21)3-8-4-12(19)18(23)13(20)5-8/h3-7,23H,1-2H3
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n/an/a 310n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 417n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant GST-tagged BRAF (S429 to E741 residues) expressed in baculovirus expression system using Ser/Thr 03 mixtu...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50234074
PNG
(CHEMBL4070633)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1C
Show InChI InChI=1S/C27H23N3O4/c1-16-3-8-21(29-26(31)20-7-10-24-25(14-20)34-12-11-33-24)15-23(16)30-27(32)19-6-9-22-18(13-19)5-4-17(2)28-22/h3-10,13-15H,11-12H2,1-2H3,(H,29,31)(H,30,32)
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n/an/a 420n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant GST-tagged BRAF (S429 to E741 residues) expressed in baculovirus expression system using Ser/Thr 03 mixtu...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 447n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234076
PNG
(CHEMBL4077078)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3CCCOc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-11-23(30-27(32)22-9-8-19-4-3-13-34-26(19)15-22)16-25(17)31-28(33)21-10-12-24-20(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 450n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50071664
PNG
(5-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Br2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 460n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071676
PNG
(4-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1cccc2C(=O)\C(=C\c3cc(Br)c(O)c(Br)c3)C(=O)c12
Show InChI InChI=1S/C16H9Br2NO3/c17-10-5-7(6-11(18)16(10)22)4-9-14(20)8-2-1-3-12(19)13(8)15(9)21/h1-6,22H,19H2/b9-4-
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n/an/a 470n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071665
PNG
(5-Amino-2-[1-(3,4-dihydroxy-phenyl)-meth-(E)-ylide...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C16H11NO4/c17-9-2-3-10-11(7-9)16(21)12(15(10)20)5-8-1-4-13(18)14(19)6-8/h1-7,18-19H,17H2/b12-5+
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n/an/a 600n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071670
PNG
(6-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1ccc2C\C(=C/c3cc(Br)c(O)c(Br)c3)C(=O)c2c1
Show InChI InChI=1S/C16H11Br2NO2/c17-13-4-8(5-14(18)16(13)21)3-10-6-9-1-2-11(19)7-12(9)15(10)20/h1-5,7,21H,6,19H2/b10-3+
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n/an/a 710n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071669
PNG
(2-(3,5-Dibromo-4-hydroxy-benzylidene)-indan-1,3-di...)
Show SMILES Oc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1Br
Show InChI InChI=1S/C16H8Br2O3/c17-12-6-8(7-13(18)16(12)21)5-11-14(19)9-3-1-2-4-10(9)15(11)20/h1-7,21H
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n/an/a 740n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071682
PNG
(2-[1-(3-Bromo-4-hydroxy-5-methoxy-phenyl)-meth-(E)...)
Show SMILES COc1ccc2C(=O)\C(=C/c3cc(Br)c(O)c(OC)c3)C(=O)c2c1
Show InChI InChI=1S/C18H13BrO5/c1-23-10-3-4-11-12(8-10)17(21)13(16(11)20)5-9-6-14(19)18(22)15(7-9)24-2/h3-8,22H,1-2H3/b13-5+
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n/an/a 880n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071678
PNG
(5-Bromo-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)c3ccc(Br)cc3C2=O)cc1Br
Show InChI InChI=1S/C16H7Br3O3/c17-8-1-2-9-10(6-8)15(21)11(14(9)20)3-7-4-12(18)16(22)13(19)5-7/h1-6,22H/b11-3+
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n/an/a 1.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071675
PNG
(2-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylid...)
Show SMILES Oc1c(Cl)cc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H7Cl2NO5/c17-10-5-7(6-11(18)16(10)22)4-9-14(20)8-2-1-3-12(19(23)24)13(8)15(9)21/h1-6,22H/b9-4-
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n/an/a 1.40E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071681
PNG
(2-[1-(3,4-Dihydroxy-phenyl)-meth-(E)-ylidene]-5-me...)
Show SMILES COc1ccc2C(=O)\C(=C/c3ccc(O)c(O)c3)C(=O)c2c1
Show InChI InChI=1S/C17H12O5/c1-22-10-3-4-11-12(8-10)17(21)13(16(11)20)6-9-2-5-14(18)15(19)7-9/h2-8,18-19H,1H3/b13-6+
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n/an/a 1.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071673
PNG
(5-Amino-2-[1-(4-hydroxy-3,5-dimethoxy-phenyl)-meth...)
Show SMILES COc1cc(\C=C2/C(=O)c3ccc(N)cc3C2=O)cc(OC)c1O
Show InChI InChI=1S/C18H15NO5/c1-23-14-6-9(7-15(24-2)18(14)22)5-13-16(20)11-4-3-10(19)8-12(11)17(13)21/h3-8,22H,19H2,1-2H3/b13-5+
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n/an/a 1.70E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071680
PNG
(2-(3-Bromo-4-hydroxy-5-methoxy-benzylidene)-5,6-di...)
Show SMILES COc1cc(C=C2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc(Br)c1O
Show InChI InChI=1S/C17H9BrCl2O4/c1-24-14-4-7(3-11(18)17(14)23)2-10-15(21)8-5-12(19)13(20)6-9(8)16(10)22/h2-6,23H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234072
PNG
(CHEMBL4099031)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 2.57E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Heat shock factor protein 1


(Homo sapiens (Human))
BDBM50234072
PNG
(CHEMBL4099031)
Show SMILES Cc1ccc2cc(ccc2n1)C(=O)Nc1cc(NC(=O)c2ccc3OCCCc3c2)ccc1C
Show InChI InChI=1S/C28H25N3O3/c1-17-5-10-23(30-27(32)22-9-12-26-20(15-22)4-3-13-34-26)16-25(17)31-28(33)21-8-11-24-19(14-21)7-6-18(2)29-24/h5-12,14-16H,3-4,13H2,1-2H3,(H,30,32)(H,31,33)
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n/an/a 2.60E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of 17-AAG-induced HSF1 pathway in human SKOV3 cells assessed as reduction in HSP72 induction preincubated for 1 hr followed by 17-AAG addi...


J Med Chem 60: 180-201 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01055
BindingDB Entry DOI: 10.7270/Q2KW5J9D
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50071667
PNG
(5-Amino-2-[1-(3,5-dichloro-4-hydroxy-phenyl)-meth-...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 3.50E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Src tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50071667
PNG
(5-Amino-2-[1-(3,5-dichloro-4-hydroxy-phenyl)-meth-...)
Show SMILES Nc1ccc2C(=O)\C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)c2c1
Show InChI InChI=1S/C16H9Cl2NO3/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19)6-10(9)15(11)21/h1-6,22H,19H2/b11-3+
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Protein Kinase A (PKA)


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071683
PNG
(2-[1-(3,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-4-ni...)
Show SMILES Oc1ccc(\C=C2\C(=O)c3cccc(c3C2=O)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C16H9NO6/c18-12-5-4-8(7-13(12)19)6-10-15(20)9-2-1-3-11(17(22)23)14(9)16(10)21/h1-7,18-19H/b10-6-
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50045936
PNG
((E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol | (E)-...)
Show SMILES Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1
Show InChI InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/b2-1+
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071679
PNG
(5-Amino-2-[1-(3,5-dibromo-4-hydroxy-phenyl)-meth-(...)
Show SMILES Nc1ccc2C(=O)\C(Cc2c1)=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C16H11Br2NO2/c17-13-4-8(5-14(18)16(13)21)3-10-6-9-7-11(19)1-2-12(9)15(10)20/h1-5,7,21H,6,19H2/b10-3+
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071674
PNG
(2-[1-(3,4-Dihydroxy-phenyl)-meth-(Z)-ylidene]-5-ni...)
Show SMILES Oc1ccc(\C=C2\C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1O
Show InChI InChI=1S/C16H9NO6/c18-13-4-1-8(6-14(13)19)5-12-15(20)10-3-2-9(17(22)23)7-11(10)16(12)21/h1-7,18-19H/b12-5-
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n/an/a>5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50067024
PNG
(2-(3,4-Dihydroxy-benzylidene)-indan-1,3-dione | CH...)
Show SMILES Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1O
Show InChI InChI=1S/C16H10O4/c17-13-6-5-9(8-14(13)18)7-12-15(19)10-3-1-2-4-11(10)16(12)20/h1-8,17-18H
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n/an/a 5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50071672
PNG
(2-[1-(3,5-Dibromo-4-hydroxy-phenyl)-meth-(E)-ylide...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)c3ccc(cc3C2=O)[N+]([O-])=O)cc1Br
Show InChI InChI=1S/C16H7Br2NO5/c17-12-4-7(5-13(18)16(12)22)3-11-14(20)9-2-1-8(19(23)24)6-10(9)15(11)21/h1-6,22H/b11-3+
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n/an/a>5.00E+3n/an/an/an/an/an/a



R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine kinase


Bioorg Med Chem Lett 8: 2489-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00445-4
BindingDB Entry DOI: 10.7270/Q2D50M3V
More data for this
Ligand-Target Pair
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