Compile Data Set for Download or QSAR

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

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Pirin (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4096048 | US9701664, Example 80) 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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4063330 | US9701664, Example 1) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4063330 | US9701664, Example 1) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4087666 | US9701664, Example 63) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4087666 | US9701664, Example 63) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4102297 | US9701664, Example 89) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4102297 | US9701664, Example 89) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50234078 (CHEMBL4087666 | US9701664, Example 63) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4087666 | US9701664, Example 63) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4069552 | US9701664, Example 2) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4069552 | US9701664, Example 2) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071666 (2-(3,5-Dibromo-4-hydroxy-benzylidene)-5,6-dimethox...) Show SMILES [#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Br)c(-[#8])c(Br)c3)-[#6](=O)-c2cc1-[#8]-[#6] 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50234083 (CHEMBL4070302 | US9701664, Example 81) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070302 | US9701664, Example 81) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50234079 (CHEMBL4096048 | US9701664, Example 80) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/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))	BDBM50234079 (CHEMBL4096048 | US9701664, Example 80) 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/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 (2-(3,5-Dichloro-4-hydroxy-benzylidene)-5,6-dimetho...) Show SMILES [#6]-[#8]-c1cc2-[#6](=O)\[#6](=[#6]\c3cc(Cl)c(-[#8])c(Cl)c3)-[#6](=O)-c2cc1-[#8]-[#6] 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50234074 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	417	n/a	n/a	n/a	n/a	n/a	n/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 (CHEMBL4070633 | US9701664, Example 39) 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071676 (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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071665 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071670 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071669 (2-(3,5-Dibromo-4-hydroxy-benzylidene)-indan-1,3-di...) Show SMILES [#8]-c1c(Br)cc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071682 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071678 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071675 (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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071681 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071673 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071680 (2-(3-Bromo-4-hydroxy-5-methoxy-benzylidene)-5,6-di...) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/[#6](=O)-c3cc(Cl)c(Cl)cc3-[#6]-2=O)cc(Br)c1-[#8] 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Heat shock factor protein 1 (Homo sapiens (Human))	BDBM50234072 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/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 (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+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit alpha/beta/gamma (Homo sapiens (Human))	BDBM50071667 (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+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071683 (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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50045936 ((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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071679 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071674 (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-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50067024 (2-(3,4-Dihydroxy-benzylidene)-indan-1,3-dione | CH...) Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\[#6](=O)-c3ccccc3-[#6]-2=O)cc1-[#8] 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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50071672 (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+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2D50M3V
					More data for this Ligand-Target Pair

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