Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3349   

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))	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	760	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	1.17E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	1.24E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					More data for this Ligand-Target Pair
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	1.31E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	1.95E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	2.17E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	2.52E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	4.54E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	4.64E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	4.83E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	5.51E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.33E+4	n/a	n/a	n/a	n/a	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					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	7.0	23
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Burnham Center for Chemical Genomics (BCCG) Burnham Institute for Medical Research (San Diego, CA) NIH Molecular Libraries Screening Centers Network ...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2S180TW
					More data for this Ligand-Target Pair