Compile Data Set for Download or QSAR

Found 326 hits of kd for UniProtKB: P08238   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	492	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM34905 (1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...) Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	414	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	585	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM31040 (1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36528 (3-benzyl-1-ethyl-6-methyl-1H,5H,6H,7H-pyrimido[5,4...) Show SMILES CCn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C15H15N5O2/c1-3-20-13-12(14(21)19(2)15(22)17-13)16-11(18-20)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a
Yale University					Assay Description AlphaScreen technology based high-throughput (ALPHA) assay is used to identify inhibitors of Hsp90-TPR2A interaction.				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM34671 (1,3,6-Trimethyl-1H-pyrimido[5,4-e][1,2,4]triazine-...) Show SMILES Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C8H9N5O2/c1-4-9-5-6(13(3)11-4)10-8(15)12(2)7(5)14/h1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	365	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM34905 (1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...) Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1 Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	202	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36527 (1,6-dimethyl-3-phenyl-1H,5H,6H,7H-pyrimido[5,4-e][...) Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	308	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM31040 (1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	928	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM36528 (3-benzyl-1-ethyl-6-methyl-1H,5H,6H,7H-pyrimido[5,4...) Show SMILES CCn1nc(Cc2ccccc2)nc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C15H15N5O2/c1-3-20-13-12(14(21)19(2)15(22)17-13)16-11(18-20)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	566	n/a	n/a	n/a	8.0	n/a
Yale University					Assay Description A fluorescence polarization (FP) assay monitor the fluorescein-labeled C-terminal Hsp90 peptide-TPRA interaction. FP assay will also confirm binding...				ACS Chem Biol 3: 645-54 (2008) Article DOI: 10.1021/cb800162x BindingDB Entry DOI: 10.7270/Q22N50N6
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225717 (hsp90_10) Show SMILES Oc1ccccc1-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-1.28,-8.73,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H14N2O4/c22-16-8-4-1-5-11(16)12-9-15(18(24)10-17(12)23)21-14-7-3-2-6-13(14)20-19(21)25/h1-10,22-24H,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225717 (hsp90_10) Show SMILES Oc1ccccc1-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-1.28,-8.73,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H14N2O4/c22-16-8-4-1-5-11(16)12-9-15(18(24)10-17(12)23)21-14-7-3-2-6-13(14)20-19(21)25/h1-10,22-24H,(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	6.58E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	123	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225719 (hsp90_12) Show SMILES CCCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	68.6	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225720 (hsp90_13) Show SMILES COC(=O)c1cc(c(O)cc1OC)-n1c2c(Cl)cc(cc2[nH]c1=O)C(F)(F)F |(-3.82,-7.9,;-2.31,-7.58,;-1.84,-6.12,;-2.87,-4.97,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;-1.28,-8.73,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;4.92,-4.38,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,;7.59,.24,;8.92,1.01,;8.36,-1.1,;6.82,1.57,)| Show InChI InChI=1S/C17H12ClF3N2O5/c1-27-13-6-12(24)11(5-8(13)15(25)28-2)23-14-9(18)3-7(17(19,20)21)4-10(14)22-16(23)26/h3-6,24H,1-2H3,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225730 (hsp90_23) Show SMILES Oc1cc(O)c(cc1-c1ccnc2ccccc12)-n1c2ccccc2[nH]c1=O |(5.33,1.54,;4,2.31,;4,3.85,;2.67,4.62,;2.67,6.16,;1.33,3.85,;1.33,2.31,;2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;6.67,-.77,;5.33,,;4,-.77,;,4.62,;-.16,6.15,;.87,7.3,;.39,8.76,;-1.11,9.08,;-2.14,7.94,;-1.67,6.47,;-2.44,5.14,;-1.41,3.99,;-1.73,2.49,)| Show InChI InChI=1S/C22H15N3O3/c26-20-12-21(27)19(25-18-8-4-3-7-17(18)24-22(25)28)11-15(20)13-9-10-23-16-6-2-1-5-14(13)16/h1-12,26-27H,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	3.06E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225731 (hsp90_24) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C22H20N2O6/c1-28-19-8-12(9-20(29-2)21(19)30-3)13-10-16(18(26)11-17(13)25)24-15-7-5-4-6-14(15)23-22(24)27/h4-11,25-26H,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	993	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225731 (hsp90_24) Show SMILES COc1cc(cc(OC)c1OC)-c1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-6.91,-4.47,;-5.41,-4.15,;-4.38,-5.29,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.3,-9.37,;-5.8,-9.69,;-4.85,-6.76,;-6.36,-7.08,;-6.83,-8.54,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C22H20N2O6/c1-28-19-8-12(9-20(29-2)21(19)30-3)13-10-16(18(26)11-17(13)25)24-15-7-5-4-6-14(15)23-22(24)27/h4-11,25-26H,1-3H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225739 (hsp90_34) Show SMILES Oc1cc(O)c(cc1-c1cccnc1O)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C18H13N3O4/c22-15-9-16(23)14(8-11(15)10-4-3-7-19-17(10)24)21-13-6-2-1-5-12(13)20-18(21)25/h1-9,22-23H,(H,19,24)(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	9.48E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225739 (hsp90_34) Show SMILES Oc1cc(O)c(cc1-c1cccnc1O)-n1c2ccccc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;2.2,-6.62,;2.68,-5.16,;4.19,-4.84,;1.65,-4.01,;.14,-4.33,;-.33,-5.8,;-1.84,-6.12,;-2.31,-7.58,;-3.82,-7.9,;-4.85,-6.76,;-4.38,-5.29,;-2.87,-4.97,;-2.39,-3.51,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C18H13N3O4/c22-15-9-16(23)14(8-11(15)10-4-3-7-19-17(10)24)21-13-6-2-1-5-12(13)20-18(21)25/h1-9,22-23H,(H,19,24)(H,20,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	5.40E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225740 (hsp90_35) Show SMILES CC1c2cc(c(O)cc2OC1(C)C)-n1c2ccccc2[nH]c1=O |(8.22,1.58,;8.7,.12,;10.16,-.36,;11.49,.41,;12.83,-.36,;12.83,-1.9,;14.16,-2.67,;11.49,-2.67,;10.16,-1.9,;8.7,-2.38,;7.79,-1.13,;6.45,-1.89,;6.45,-.37,;14.16,.41,;15.57,-.22,;16.04,-1.68,;17.55,-2,;18.58,-.86,;18.11,.61,;16.6,.93,;15.83,2.26,;14.32,1.94,;13.18,2.97,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225743 (hsp90_38) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(14.26,11.31,;14.26,9.77,;15.59,9,;12.93,9,;12.93,7.46,;11.59,6.69,;10.26,7.46,;10.26,9,;11.59,9.77,;8.92,6.69,;8.15,8.03,;9.69,5.36,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)| Show InChI InChI=1S/C23H22ClN3O5S/c1-13(2)15-4-6-16(7-5-15)33(31,32)25-12-14-3-8-19-18(9-14)26-23(30)27(19)20-10-17(24)21(28)11-22(20)29/h3-11,13,25,28-29H,12H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225743 (hsp90_38) Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NCc1ccc2n(-c3cc(Cl)c(O)cc3O)c(=O)[nH]c2c1 |(14.26,11.31,;14.26,9.77,;15.59,9,;12.93,9,;12.93,7.46,;11.59,6.69,;10.26,7.46,;10.26,9,;11.59,9.77,;8.92,6.69,;8.15,8.03,;9.69,5.36,;7.59,5.92,;7.59,4.38,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;2.13,1.6,;1.65,.13,;2.68,-1.01,;2.2,-2.48,;3.23,-3.62,;.7,-2.8,;.22,-4.26,;-.33,-1.65,;.14,-.19,;-.89,.96,;1.22,2.84,;-.32,2.84,;2.13,4.09,;3.59,3.61,;4.92,4.38,)| Show InChI InChI=1S/C23H22ClN3O5S/c1-13(2)15-4-6-16(7-5-15)33(31,32)25-12-14-3-8-19-18(9-14)26-23(30)27(19)20-10-17(24)21(28)11-22(20)29/h3-11,13,25,28-29H,12H2,1-2H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225744 (hsp90_40) Show SMILES CCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225744 (hsp90_40) Show SMILES CCc1cc(c(O)cc1O)-n1c2ccccc2[nH]c1=O |(-2.31,-7.58,;-1.84,-6.12,;-.33,-5.8,;.14,-4.33,;1.65,-4.01,;2.68,-5.16,;4.19,-4.84,;2.2,-6.62,;.7,-6.94,;.22,-8.41,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C15H14N2O3/c1-2-9-7-12(14(19)8-13(9)18)17-11-6-4-3-5-10(11)16-15(17)20/h3-8,18-19H,2H2,1H3,(H,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225746 (hsp90_43) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3O)cc2[nH]c1=O |(.22,-4.26,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;4.19,-.69,;1.65,.13,;.14,-.19,;-.33,-1.65,;-1.84,-1.97,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.15,8.03,;9.69,5.36,;10.26,7.46,;11.59,6.69,;12.93,7.46,;12.93,9,;11.59,9.77,;10.26,9,;8.92,9.77,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;-.32,2.84,)| Show InChI InChI=1S/C20H16ClN3O6S/c21-12-8-15(18(27)9-17(12)26)24-14-6-5-11(7-13(14)23-20(24)28)10-22-31(29,30)19-4-2-1-3-16(19)25/h1-9,22,25-27H,10H2,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225746 (hsp90_43) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3ccccc3O)cc2[nH]c1=O |(.22,-4.26,;.7,-2.8,;2.2,-2.48,;2.68,-1.01,;4.19,-.69,;1.65,.13,;.14,-.19,;-.33,-1.65,;-1.84,-1.97,;2.13,1.6,;3.59,2.07,;4.92,1.3,;6.26,2.07,;6.26,3.61,;7.59,4.38,;7.59,5.92,;8.92,6.69,;8.15,8.03,;9.69,5.36,;10.26,7.46,;11.59,6.69,;12.93,7.46,;12.93,9,;11.59,9.77,;10.26,9,;8.92,9.77,;4.92,4.38,;3.59,3.61,;2.13,4.09,;1.22,2.84,;-.32,2.84,)| Show InChI InChI=1S/C20H16ClN3O6S/c21-12-8-15(18(27)9-17(12)26)24-14-6-5-11(7-13(14)23-20(24)28)10-22-31(29,30)19-4-2-1-3-16(19)25/h1-9,22,25-27H,10H2,(H,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225747 (hsp90_44) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccnc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H15ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26H,9H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	376	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225747 (hsp90_44) Show SMILES Oc1cc(O)c(cc1Cl)-n1c2ccc(CNS(=O)(=O)c3cccnc3)cc2[nH]c1=O |(.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.68,-5.16,;2.2,-6.62,;3.23,-7.77,;2.13,-2.55,;3.59,-2.07,;4.92,-2.84,;6.26,-2.07,;6.26,-.53,;7.59,.24,;7.59,1.78,;8.92,2.55,;9.69,1.21,;8.15,3.88,;10.26,3.32,;10.26,4.86,;11.59,5.63,;12.93,4.86,;12.93,3.32,;11.59,2.55,;4.92,.24,;3.59,-.53,;2.13,-.06,;1.22,-1.3,;-.32,-1.3,)| Show InChI InChI=1S/C19H15ClN4O5S/c20-13-7-16(18(26)8-17(13)25)24-15-4-3-11(6-14(15)23-19(24)27)9-22-30(28,29)12-2-1-5-21-10-12/h1-8,10,22,25-26H,9H2,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	26.8	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225779 (hsp90_70) Show SMILES COc1cccc(OC)c1-c1cc(C)nc(N)n1 Show InChI InChI=1S/C13H15N3O2/c1-8-7-9(16-13(14)15-8)12-10(17-2)5-4-6-11(12)18-3/h4-7H,1-3H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	2.28E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225779 (hsp90_70) Show SMILES COc1cccc(OC)c1-c1cc(C)nc(N)n1 Show InChI InChI=1S/C13H15N3O2/c1-8-7-9(16-13(14)15-8)12-10(17-2)5-4-6-11(12)18-3/h4-7H,1-3H3,(H2,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225782 (hsp90_73) Show SMILES Cc1cc(nc(N)n1)-c1ccc(cc1Cl)N(=O)=O Show InChI InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	n/a	4.53E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225782 (hsp90_73) Show SMILES Cc1cc(nc(N)n1)-c1ccc(cc1Cl)N(=O)=O Show InChI InChI=1S/C11H9ClN4O2/c1-6-4-10(15-11(13)14-6)8-3-2-7(16(17)18)5-9(8)12/h2-5H,1H3,(H2,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225786 (hsp90_77) Show SMILES Nc1nc(cc(n1)-c1ccc(cc1Cl)C(F)(F)F)-c1ccc(cc1Cl)C(F)(F)F Show InChI InChI=1S/C18H9Cl2F6N3/c19-12-5-8(17(21,22)23)1-3-10(12)14-7-15(29-16(27)28-14)11-4-2-9(6-13(11)20)18(24,25)26/h1-7H,(H2,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225793 (hsp90_84) Show SMILES COc1ccc(c(OC)c1)-c1cc(nc(N)n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H15Cl2N3O2/c1-24-11-4-6-13(17(8-11)25-2)16-9-15(22-18(21)23-16)12-5-3-10(19)7-14(12)20/h3-9H,1-2H3,(H2,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	2.65E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225796 (hsp90_87) Show SMILES Nc1nc(Cl)c(\C=N\O)c(n1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C11H7Cl3N4O/c12-5-1-2-6(8(13)3-5)9-7(4-16-19)10(14)18-11(15)17-9/h1-4,19H,(H2,15,17,18)/b16-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	D3R	n/a	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225800 (hsp90_91) Show SMILES CCOC(=O)CO\N=C\c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C15H13Cl3N4O3/c1-2-24-12(23)7-25-20-6-10-13(21-15(19)22-14(10)18)9-4-3-8(16)5-11(9)17/h3-6H,2,7H2,1H3,(H2,19,21,22)/b20-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225804 (hsp90_95) Show SMILES Cc1cc(nn1-c1cc(C)nc(N)n1)C(=O)NCC1COC(C)(C)O1 Show InChI InChI=1S/C16H22N6O3/c1-9-5-13(20-15(17)19-9)22-10(2)6-12(21-22)14(23)18-7-11-8-24-16(3,4)25-11/h5-6,11H,7-8H2,1-4H3,(H,18,23)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225804 (hsp90_95) Show SMILES Cc1cc(nn1-c1cc(C)nc(N)n1)C(=O)NCC1COC(C)(C)O1 Show InChI InChI=1S/C16H22N6O3/c1-9-5-13(20-15(17)19-9)22-10(2)6-12(21-22)14(23)18-7-11-8-24-16(3,4)25-11/h5-6,11H,7-8H2,1-4H3,(H,18,23)(H2,17,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	6.40E+4	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225831 (hsp90_120) Show SMILES Cc1cc(CNC(=O)N2CCN(C2=O)S(C)(=O)=O)nc(N)n1 Show InChI InChI=1S/C11H16N6O4S/c1-7-5-8(15-9(12)14-7)6-13-10(18)16-3-4-17(11(16)19)22(2,20)21/h5H,3-4,6H2,1-2H3,(H,13,18)(H2,12,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225837 (hsp90_128) Show SMILES Cn1c2c(C(=O)c3ccccc3C2=O)[n+](C)c1CCl Show InChI InChI=1S/C14H12ClN2O2/c1-16-10(7-15)17(2)12-11(16)13(18)8-5-3-4-6-9(8)14(12)19/h3-6H,7H2,1-2H3/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225847 (Polyhydroxy benzophenone, 8 | hsp90_138) Show SMILES Oc1ccc(C(=O)c2ccc(O)c(O)c2O)c(O)c1 Show InChI InChI=1S/C13H10O6/c14-6-1-2-7(10(16)5-6)11(17)8-3-4-9(15)13(19)12(8)18/h1-5,14-16,18-19H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225859 (hsp90_151) Show SMILES CCCC(=O)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C10H12O4/c1-2-3-7(11)6-4-8(12)10(14)9(13)5-6/h4-5,12-14H,2-3H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225868 (hsp90_164) Show SMILES Oc1ccc(cc1)C(=O)c1cc(Cl)ccc1O Show InChI InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225868 (hsp90_164) Show SMILES Oc1ccc(cc1)C(=O)c1cc(Cl)ccc1O Show InChI InChI=1S/C13H9ClO3/c14-9-3-6-12(16)11(7-9)13(17)8-1-4-10(15)5-2-8/h1-7,15-16H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	n/a	8.33E+3	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description ITC				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225869 (hsp90_165) Show SMILES CC(=O)Oc1ccc(c2ccccc12)N(=O)=O Show InChI InChI=1S/C12H9NO4/c1-8(14)17-12-7-6-11(13(15)16)9-4-2-3-5-10(9)12/h2-7H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225874 (hsp90_171) Show SMILES OCCOc1ccc(C(=O)c2cc(Cl)c(O)c(CNC(=O)CCl)c2)c(Cl)c1Cl Show InChI InChI=1S/C18H15Cl4NO5/c19-7-14(25)23-8-10-5-9(6-12(20)18(10)27)17(26)11-1-2-13(28-4-3-24)16(22)15(11)21/h1-2,5-6,24,27H,3-4,7-8H2,(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM225875 (hsp90_174) Show SMILES CC(=O)Oc1ccc2c(oc(C)c(Cc3ccccc3)c2=O)c1OC(C)=O Show InChI InChI=1S/C21H18O6/c1-12-17(11-15-7-5-4-6-8-15)19(24)16-9-10-18(26-13(2)22)21(20(16)25-12)27-14(3)23/h4-10H,11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Thermofluor Assay				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
					More data for this Ligand-Target Pair

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