Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3968   

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
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31698 (3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-...) Show SMILES CC1(C)CCCN(C1)C(=O)c1coc(=O)c(Br)c1 Show InChI InChI=1S/C13H16BrNO3/c1-13(2)4-3-5-15(8-13)11(16)9-6-10(14)12(17)18-7-9/h6-7H,3-5,8H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31691 (3-Methoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo...) Show SMILES [H]C12CCCC([H])(CC(C1)NC(=O)c1cccc(OC)c1)N2CC(=O)Nc1ccccc1 Show InChI InChI=1S/C24H29N3O3/c1-30-22-12-5-7-17(13-22)24(29)26-19-14-20-10-6-11-21(15-19)27(20)16-23(28)25-18-8-3-2-4-9-18/h2-5,7-9,12-13,19-21H,6,10-11,14-16H2,1H3,(H,25,28)(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31716 (4-methylbenzoic acid (4-salicyloylazoanilino) este...) Show SMILES Cc1ccc(cc1)C(=O)ONc1ccc(cc1)\N=N\C(=O)c1ccccc1O Show InChI InChI=1S/C21H17N3O4/c1-14-6-8-15(9-7-14)21(27)28-24-17-12-10-16(11-13-17)22-23-20(26)18-4-2-3-5-19(18)25/h2-13,24-25H,1H3/b23-22+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31696 (2-[4-[3,9-bis(oxidanylidene)-2-(oxolan-2-ylmethyl)...) Show SMILES NC(=O)COc1ccc(cc1)C1N(CC2CCCO2)C(=O)c2oc3ccccc3c(=O)c12 Show InChI InChI=1S/C24H22N2O6/c25-19(27)13-31-15-9-7-14(8-10-15)21-20-22(28)17-5-1-2-6-18(17)32-23(20)24(29)26(21)12-16-4-3-11-30-16/h1-2,5-10,16,21H,3-4,11-13H2,(H2,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31715 (3-[(4Z)-4-[(E)-3-(2-furanyl)prop-2-enylidene]-3-me...) Show SMILES OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccco2)c1=O |w:14.15| Show InChI InChI=1S/C18H14N2O4/c1-12-16(9-3-7-15-8-4-10-24-15)17(21)20(19-12)14-6-2-5-13(11-14)18(22)23/h2-11,19H,1H2,(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31703 (3-(2,5-dimethyl-1-pyrrolyl)benzoic acid | 3-(2,5-d...) Show SMILES Cc1ccc(C)n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31712 (HEXACHLOROPHENE | Hexach-lorophene | MLS000028433 ...) Show SMILES Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	1.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31699 ((4-methoxy-1,3-benzothiazol-2-yl)-[5-(4-methoxyphe...) Show SMILES COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1 Show InChI InChI=1S/C17H14N4O3S/c1-22-11-8-6-10(7-9-11)15-20-21-16(24-15)19-17-18-14-12(23-2)4-3-5-13(14)25-17/h3-9H,1-2H3,(H,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31700 ((5Z)-5-(5-bromo-2-methoxybenzylidene)-2-(2-furyl)[...) Show SMILES COc1ccc(Br)cc1C=c1sc2nc(nn2c1=O)-c1ccco1 Show InChI InChI=1S/C16H10BrN3O3S/c1-22-11-5-4-10(17)7-9(11)8-13-15(21)20-16(24-13)18-14(19-20)12-3-2-6-23-12/h2-8H,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31701 (3-(2-furanyl)-N-(3-methoxypropyl)-3-[(4-methylphen...) Show SMILES COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1 Show InChI InChI=1S/C18H24N2O5S/c1-14-6-8-15(9-7-14)26(22,23)20-16(17-5-3-12-25-17)13-18(21)19-10-4-11-24-2/h3,5-9,12,16,20H,4,10-11,13H2,1-2H3,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31702 (1-[2-(2-chloro-6-fluoro-phenyl)acetyl]isonipecotic...) Show SMILES CCOC(=O)C1CCN(CC1)C(=O)Cc1c(F)cccc1Cl Show InChI InChI=1S/C16H19ClFNO3/c1-2-22-16(21)11-6-8-19(9-7-11)15(20)10-12-13(17)4-3-5-14(12)18/h3-5,11H,2,6-10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31704 (MLS000050353 | N-(2,3-di-2-furyl-6-quinoxalinyl)-1...) Show SMILES O=C(Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1)N1CCCCCC1 Show InChI InChI=1S/C23H22N4O3/c28-23(27-11-3-1-2-4-12-27)24-16-9-10-17-18(15-16)26-22(20-8-6-14-30-20)21(25-17)19-7-5-13-29-19/h5-10,13-15H,1-4,11-12H2,(H,24,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31705 (3-(1-benzofuran-2-yl)-1-ethoxy-2(1H)-quinoxalinone...) Show SMILES CCOn1c2ccccc2[n+]([O-])c(-c2cc3ccccc3o2)c1=O Show InChI InChI=1S/C18H14N2O4/c1-2-23-20-14-9-5-4-8-13(14)19(22)17(18(20)21)16-11-12-7-3-6-10-15(12)24-16/h3-11H,2H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31706 (2-(2-ethoxyphenyl)-5,6-dimethyl-1,3-dihydroisoindo...) Show SMILES CCOc1ccccc1N1Cc2cc(C)c(C)cc2C1 Show InChI InChI=1S/C18H21NO/c1-4-20-18-8-6-5-7-17(18)19-11-15-9-13(2)14(3)10-16(15)12-19/h5-10H,4,11-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31707 (MLS000114707 | SMR000092046 | cid_5307431) Show SMILES [H]C12CC([H])(C=C1)C1(C)C2C(=O)N(C1=O)c1cccc2c(C)ccnc12 |c:5,TLB:10:9:2:5.6,THB:13:7:2:5.6,8:7:2:5.6| Show InChI InChI=1S/C20H18N2O2/c1-11-8-9-21-17-14(11)4-3-5-15(17)22-18(23)16-12-6-7-13(10-12)20(16,2)19(22)24/h3-9,12-13,16H,10H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31708 (MLS000118949 | N-(5-methyl-1,2-oxazol-3-yl)-2-quin...) Show SMILES Cc1cc(NC(=O)CSc2ncnc3ccccc23)no1 Show InChI InChI=1S/C14H12N4O2S/c1-9-6-12(18-20-9)17-13(19)7-21-14-10-4-2-3-5-11(10)15-8-16-14/h2-6,8H,7H2,1H3,(H,17,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31709 (4-amino-2-phenyl-isoindoline-1,3-quinone | 4-amino...) Show SMILES Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1 Show InChI InChI=1S/C14H10N2O2/c15-11-8-4-7-10-12(11)14(18)16(13(10)17)9-5-2-1-3-6-9/h1-8H,15H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31710 (1-(4-chlorophenyl)-3-(1,5-dimethyl-3-oxidanylidene...) Show SMILES Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C Show InChI InChI=1S/C18H17ClN4O2/c1-12-16(21-18(25)20-14-10-8-13(19)9-11-14)17(24)23(22(12)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H2,20,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM4078 (6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...) Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31713 (1-Cyclopropyl-3-(2,3-di-furan-2-yl-quinoxalin-6-yl...) Show SMILES O=C(NC1CC1)Nc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C20H16N4O3/c25-20(21-12-5-6-12)22-13-7-8-14-15(11-13)24-19(17-4-2-10-27-17)18(23-14)16-3-1-9-26-16/h1-4,7-12H,5-6H2,(H2,21,22,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31714 (2-Ethyl-2H-pyrazole-3-carboxylic acid (5-chloro-py...) Show SMILES CCn1nccc1C(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C11H11ClN4O/c1-2-16-9(5-6-14-16)11(17)15-10-4-3-8(12)7-13-10/h3-7H,2H2,1H3,(H,13,15,17)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31717 (MLS000521411 | SMR000131819 | [4-[(2-hydroxybenzoy...) Show SMILES Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C20H15N3O4/c24-18-9-5-4-8-17(18)19(25)22-21-15-10-12-16(13-11-15)23-27-20(26)14-6-2-1-3-7-14/h1-13,23-24H/b22-21+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31719 (2-(4-Cyano-3-propyl-benzo[4,5]imidazo[1,2-a]pyridi...) Show SMILES CCCc1cc(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc23)c1C#N Show InChI InChI=1S/C28H26N6O2S/c1-4-10-19-15-25(33-23-14-9-8-13-22(23)30-27(33)21(19)16-29)37-17-24(35)31-26-18(2)32(3)34(28(26)36)20-11-6-5-7-12-20/h5-9,11-15H,4,10,17H2,1-3H3,(H,31,35)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31720 ((E)-1-(4-Chloro-phenyl)-4,4,4-trifluoro-3-(2-hydro...) Show SMILES OCCN=C(CC(=O)c1ccc(Cl)cc1)C(F)(F)F |w:3.2| Show InChI InChI=1S/C12H11ClF3NO2/c13-9-3-1-8(2-4-9)10(19)7-11(12(14,15)16)17-5-6-18/h1-4,18H,5-7H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31721 (4-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-6-(t...) Show SMILES [O-][N+](=O)c1ccc(Cl)c(C=Cc2cc(nc(=O)[nH]2)C(F)(F)F)c1 |w:9.8| Show InChI InChI=1S/C13H7ClF3N3O3/c14-10-4-3-9(20(22)23)5-7(10)1-2-8-6-11(13(15,16)17)19-12(21)18-8/h1-6H,(H,18,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31697 (4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-N-(...) Show SMILES Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 Show InChI InChI=1S/C20H27N5O3S/c1-15-3-5-17(6-4-15)28-14-13-24-9-11-25(12-10-24)19(27)8-7-18(26)21-20-23-22-16(2)29-20/h3-6H,7-14H2,1-2H3,(H,21,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31695 (2-cyano-2-(3-pyrrolidinoquinoxalin-2-yl)acetic aci...) Show SMILES C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1 Show InChI InChI=1S/C18H18N4O2/c1-2-11-24-18(23)13(12-19)16-17(22-9-5-6-10-22)21-15-8-4-3-7-14(15)20-16/h2-4,7-8,13H,1,5-6,9-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31694 (MLS000077326 | N-(7-Acetyl-2,3-dihydro-benzo[1,4]d...) Show SMILES CC(=O)Nc1cc2OCCOc2cc1C(C)=O Show InChI InChI=1S/C12H13NO4/c1-7(14)9-5-11-12(17-4-3-16-11)6-10(9)13-8(2)15/h5-6H,3-4H2,1-2H3,(H,13,15)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31693 (4-[(2,5-Diethoxy-phenylcarbamoyl)-methyl]-piperazi...) Show SMILES CCOC(=O)N1CCN(CC(=O)Nc2cc(OCC)ccc2OCC)CC1 Show InChI InChI=1S/C19H29N3O5/c1-4-25-15-7-8-17(26-5-2)16(13-15)20-18(23)14-21-9-11-22(12-10-21)19(24)27-6-3/h7-8,13H,4-6,9-12,14H2,1-3H3,(H,20,23)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31692 (4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-quinolin-6...) Show SMILES CC(C)(C)n1nnnc1C(N1CCSCC1)c1ccc2ncccc2c1 Show InChI InChI=1S/C19H24N6S/c1-19(2,3)25-18(21-22-23-25)17(24-9-11-26-12-10-24)15-6-7-16-14(13-15)5-4-8-20-16/h4-8,13,17H,9-12H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31718 (2-[[1-oxo-2-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl...) Show SMILES CCOC(=O)CNC(=O)CNC(=O)Cn1ccc2ccccc2c1=O Show InChI InChI=1S/C17H19N3O5/c1-2-25-16(23)10-19-14(21)9-18-15(22)11-20-8-7-12-5-3-4-6-13(12)17(20)24/h3-8H,2,9-11H2,1H3,(H,18,22)(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31689 (1'-acetyl-6-amino-3-methyl-5-spiro[2H-pyrano[2,3-c...) Show SMILES CC(=O)N1CCC2(CC1)C(C#N)C(=N)Oc1n[nH]c(C)c21 Show InChI InChI=1S/C14H17N5O2/c1-8-11-13(18-17-8)21-12(16)10(7-15)14(11)3-5-19(6-4-14)9(2)20/h10,16H,3-6H2,1-2H3,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Homo sapiens (Human))	BDBM31690 (5-(2,4-Dichloro-phenyl)-7-furan-2-yl-4,5,6,7-tetra...) Show SMILES Nc1nc2NC(CC(c3ccco3)n2n1)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H13Cl2N5O/c16-8-3-4-9(10(17)6-8)11-7-12(13-2-1-5-23-13)22-15(19-11)20-14(18)21-22/h1-6,11-12H,7H2,(H3,18,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2RF5SF5
					More data for this Ligand-Target Pair