Compile Data Set for Download or QSAR

Found 60 hits Enz. Inhib. hit(s) with all data for entry = 50010569   

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 protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50439621 (GANETESPIB | STA-9090) Show SMILES CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50439621 (GANETESPIB | STA-9090) Show SMILES CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540248 (CHEMBL4648197) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-6-8-15(9-7-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540236 (CHEMBL4639163) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-12(2)15-9-16(18(26)10-17(15)25)20-21(24(23-22-20)11-19(27)30-3)13-5-7-14(8-6-13)31(4,28)29/h5-10,12,25-26H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540237 (CHEMBL4647171) Show SMILES COC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-12(2)15-9-16(18(26)10-17(15)25)20-21(24(23-22-20)11-19(27)30-3)13-6-5-7-14(8-13)31(4,28)29/h5-10,12,25-26H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540232 (CHEMBL4641526) Show SMILES CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C25H25N3O4S/c1-16(2)20-13-21(23(30)14-22(20)29)24-25(18-9-11-19(12-10-18)33(3,31)32)28(27-26-24)15-17-7-5-4-6-8-17/h4-14,16,29-30H,15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540239 (CHEMBL4635982) Show SMILES COC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H23N3O6/c1-12(2)14-9-15(17(27)10-16(14)26)21-22(25(24-23-21)11-20(28)29-3)13-4-5-18-19(8-13)31-7-6-30-18/h4-5,8-10,12,26-27H,6-7,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50439621 (GANETESPIB | STA-9090) Show SMILES CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3n(C)ccc3c2)c(O)cc1O Show InChI InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540249 (CHEMBL4635778) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-7-6-8-15(9-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540237 (CHEMBL4647171) Show SMILES COC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-12(2)15-9-16(18(26)10-17(15)25)20-21(24(23-22-20)11-19(27)30-3)13-6-5-7-14(8-13)31(4,28)29/h5-10,12,25-26H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540251 (CHEMBL4641450) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H25N3O6/c1-4-30-21(29)12-26-23(14-5-6-19-20(9-14)32-8-7-31-19)22(24-25-26)16-10-15(13(2)3)17(27)11-18(16)28/h5-6,9-11,13,27-28H,4,7-8,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540242 (CHEMBL4648091) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(OCCN(C)C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H30N4O5/c1-15(2)18-12-19(21(30)13-20(18)29)23-24(28(26-25-23)14-22(31)32-5)16-6-8-17(9-7-16)33-11-10-27(3)4/h6-9,12-13,15,29-30H,10-11,14H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540250 (CHEMBL4649532) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H26N4O6S/c1-5-32-20(29)12-26-22(14-7-6-8-15(9-14)24-33(4,30)31)21(23-25-26)17-10-16(13(2)3)18(27)11-19(17)28/h6-11,13,24,27-28H,5,12H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540239 (CHEMBL4635982) Show SMILES COC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H23N3O6/c1-12(2)14-9-15(17(27)10-16(14)26)21-22(25(24-23-21)11-20(28)29-3)13-4-5-18-19(8-13)31-7-6-30-18/h4-5,8-10,12,26-27H,6-7,11H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540238 (CHEMBL4638275) Show SMILES COC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O6S/c1-12(2)15-9-16(18(27)10-17(15)26)20-21(25(24-22-20)11-19(28)31-3)13-6-5-7-14(8-13)23-32(4,29)30/h5-10,12,23,26-27H,11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540232 (CHEMBL4641526) Show SMILES CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C25H25N3O4S/c1-16(2)20-13-21(23(30)14-22(20)29)24-25(18-9-11-19(12-10-18)33(3,31)32)28(27-26-24)15-17-7-5-4-6-8-17/h4-14,16,29-30H,15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540236 (CHEMBL4639163) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-12(2)15-9-16(18(26)10-17(15)25)20-21(24(23-22-20)11-19(27)30-3)13-5-7-14(8-6-13)31(4,28)29/h5-10,12,25-26H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540241 (CHEMBL4636983) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H30N4O5/c1-16(2)19-12-20(22(31)13-21(19)30)24-25(29(27-26-24)15-23(32)33-3)18-6-4-17(5-7-18)14-28-8-10-34-11-9-28/h4-7,12-13,16,30-31H,8-11,14-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540249 (CHEMBL4635778) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-7-6-8-15(9-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540248 (CHEMBL4648197) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H25N3O6S/c1-5-31-20(28)12-25-22(14-6-8-15(9-7-14)32(4,29)30)21(23-24-25)17-10-16(13(2)3)18(26)11-19(17)27/h6-11,13,26-27H,5,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50180302 (8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...) Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12 Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540253 (CHEMBL4641737) Show SMILES CC(C)c1cc(-c2nnn(CC(N)=O)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C21H22N4O5/c1-11(2)13-8-14(16(27)9-15(13)26)20-21(25(24-23-20)10-19(22)28)12-3-4-17-18(7-12)30-6-5-29-17/h3-4,7-9,11,26-27H,5-6,10H2,1-2H3,(H2,22,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540252 (CHEMBL4634794) Show SMILES CC(C)c1cc(-c2nnn(CC(N)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H22N4O5S/c1-11(2)14-8-15(17(26)9-16(14)25)19-20(24(23-22-19)10-18(21)27)12-4-6-13(7-5-12)30(3,28)29/h4-9,11,25-26H,10H2,1-3H3,(H2,21,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540243 (CHEMBL4644958) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(O)c(O)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C20H21N3O6/c1-10(2)12-7-13(16(26)8-15(12)25)19-20(11-4-5-14(24)17(27)6-11)23(22-21-19)9-18(28)29-3/h4-8,10,24-27H,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540255 (CHEMBL4639876) Show SMILES CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H21N3O6S/c1-4-12-9-15(17(25)10-16(12)24)19-20(23(22-21-19)11-18(26)29-2)13-6-5-7-14(8-13)30(3,27)28/h5-10,24-25H,4,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540259 (CHEMBL4647213) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(c1)S(C)(=O)=O)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-4-13-10-16(18(26)11-17(13)25)20-21(24(23-22-20)12-19(27)30-5-2)14-7-6-8-15(9-14)31(3,28)29/h6-11,25-26H,4-5,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	161	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540235 (CHEMBL4633149) Show SMILES CC(C)c1cc(-c2nn[nH]c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C18H19N3O4S/c1-10(2)13-8-14(16(23)9-15(13)22)18-17(19-21-20-18)11-4-6-12(7-5-11)26(3,24)25/h4-10,22-23H,1-3H3,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540234 (CHEMBL4633859) Show SMILES CC(C)c1cc(-c2nn[nH]c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C19H19N3O4/c1-10(2)12-8-13(15(24)9-14(12)23)19-18(20-22-21-19)11-3-4-16-17(7-11)26-6-5-25-16/h3-4,7-10,23-24H,5-6H2,1-2H3,(H,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	169	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540257 (CHEMBL4636678) Show SMILES CCc1cc(-c2nnn(CC(=O)OC)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C21H21N3O6/c1-3-12-8-14(16(26)10-15(12)25)20-21(24(23-22-20)11-19(27)28-2)13-4-5-17-18(9-13)30-7-6-29-17/h4-5,8-10,25-26H,3,6-7,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540245 (CHEMBL4641711) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(c2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H21N3O6S/c1-11(2)14-8-15(17(25)9-16(14)24)19-20(23(22-21-19)10-18(26)27)12-5-4-6-13(7-12)30(3,28)29/h4-9,11,24-25H,10H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	173	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540242 (CHEMBL4648091) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(OCCN(C)C)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H30N4O5/c1-15(2)18-12-19(21(30)13-20(18)29)23-24(28(26-25-23)14-22(31)32-5)16-6-8-17(9-7-16)33-11-10-27(3)4/h6-9,12-13,15,29-30H,10-11,14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	175	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540247 (CHEMBL4649172) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2ccc3OCCOc3c2)c(O)cc1O Show InChI InChI=1S/C21H21N3O6/c1-11(2)13-8-14(16(26)9-15(13)25)20-21(24(23-22-20)10-19(27)28)12-3-4-17-18(7-12)30-6-5-29-17/h3-4,7-9,11,25-26H,5-6,10H2,1-2H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540260 (CHEMBL4636551) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C25H30N4O5/c1-3-18-13-20(22(31)14-21(18)30)24-25(29(27-26-24)16-23(32)34-4-2)19-7-5-17(6-8-19)15-28-9-11-33-12-10-28/h5-8,13-14,30-31H,3-4,9-12,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540256 (CHEMBL4638514) Show SMILES CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O Show InChI InChI=1S/C20H22N4O6S/c1-4-12-9-15(17(26)10-16(12)25)19-20(24(23-21-19)11-18(27)30-2)13-6-5-7-14(8-13)22-31(3,28)29/h5-10,22,25-26H,4,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540244 (CHEMBL4635428) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H21N3O6S/c1-11(2)14-8-15(17(25)9-16(14)24)19-20(23(22-21-19)10-18(26)27)12-4-6-13(7-5-12)30(3,28)29/h4-9,11,24-25H,10H2,1-3H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540238 (CHEMBL4638275) Show SMILES COC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C21H24N4O6S/c1-12(2)15-9-16(18(27)10-17(15)26)20-21(25(24-22-20)11-19(28)31-3)13-6-5-7-14(8-13)23-32(4,29)30/h5-10,12,23,26-27H,11H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540251 (CHEMBL4641450) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc2OCCOc2c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H25N3O6/c1-4-30-21(29)12-26-23(14-5-6-19-20(9-14)32-8-7-31-19)22(24-25-26)16-10-15(13(2)3)17(27)11-18(16)28/h5-6,9-11,13,27-28H,4,7-8,12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540241 (CHEMBL4636983) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C25H30N4O5/c1-16(2)19-12-20(22(31)13-21(19)30)24-25(29(27-26-24)15-23(32)33-3)18-6-4-17(5-7-18)14-28-8-10-34-11-9-28/h4-7,12-13,16,30-31H,8-11,14-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50540250 (CHEMBL4649532) Show SMILES CCOC(=O)Cn1nnc(c1-c1cccc(NS(C)(=O)=O)c1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C22H26N4O6S/c1-5-32-20(29)12-26-22(14-7-6-8-15(9-14)24-33(4,30)31)21(23-25-26)17-10-16(13(2)3)18(27)11-19(17)28/h6-11,13,24,27-28H,5,12H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540254 (CHEMBL4648569) Show SMILES CCc1cc(-c2nnn(CC(=O)OC)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C20H21N3O6S/c1-4-12-9-15(17(25)10-16(12)24)19-20(23(22-21-19)11-18(26)29-2)13-5-7-14(8-6-13)30(3,27)28/h5-10,24-25H,4,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	214	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540233 (CHEMBL4644379) Show SMILES CC(C)c1cc(-c2nn[nH]c2-c2ccccc2)c(O)cc1O Show InChI InChI=1S/C17H17N3O2/c1-10(2)12-8-13(15(22)9-14(12)21)17-16(18-20-19-17)11-6-4-3-5-7-11/h3-10,21-22H,1-2H3,(H,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50180302 (8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...) Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12 Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	301	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of GRP94 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540258 (CHEMBL4645350) Show SMILES CCOC(=O)Cn1nnc(c1-c1ccc(cc1)S(C)(=O)=O)-c1cc(CC)c(O)cc1O Show InChI InChI=1S/C21H23N3O6S/c1-4-13-10-16(18(26)11-17(13)25)20-21(24(23-22-20)12-19(27)30-5-2)14-6-8-15(9-7-14)31(3,28)29/h6-11,25-26H,4-5,12H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50180302 (8-(6-iodo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isop...) Show SMILES CC(C)NCCCn1c(Sc2cc3OCOc3cc2I)nc2c(N)ncnc12 Show InChI InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540261 (CHEMBL4642351) Show SMILES CCc1cc(-c2nnn(CC(N)=O)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C19H20N4O5S/c1-3-11-8-14(16(25)9-15(11)24)18-19(23(22-21-18)10-17(20)26)12-4-6-13(7-5-12)29(2,27)28/h4-9,24-25H,3,10H2,1-2H3,(H2,20,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50540246 (CHEMBL4642050) Show SMILES CC(C)c1cc(-c2nnn(CC(O)=O)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O Show InChI InChI=1S/C20H22N4O6S/c1-11(2)14-8-15(17(26)9-16(14)25)19-20(24(23-21-19)10-18(27)28)12-5-4-6-13(7-12)22-31(3,29)30/h4-9,11,22,25-26H,10H2,1-3H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of recombinant HSP90alpha (unknown origin) incubated for 24 hrs in presence of 1-FITC3 probe by fluorescence polarization assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50540240 (CHEMBL4647894) Show SMILES COC(=O)Cn1nnc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H32N4O4/c1-17(2)20-13-21(23(32)14-22(20)31)25-26(30(28-27-25)16-24(33)34-3)19-9-7-18(8-10-19)15-29-11-5-4-6-12-29/h7-10,13-14,17,31-32H,4-6,11-12,15-16H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50540232 (CHEMBL4641526) Show SMILES CC(C)c1cc(-c2nnn(Cc3ccccc3)c2-c2ccc(cc2)S(C)(=O)=O)c(O)cc1O Show InChI InChI=1S/C25H25N3O4S/c1-16(2)20-13-21(23(30)14-22(20)29)24-25(18-9-11-19(12-10-18)33(3,31)32)28(27-26-24)15-17-7-5-4-6-8-17/h4-14,16,29-30H,15H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) Curated by ChEMBL					Assay Description Inhibition of TRAP1 (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126809 BindingDB Entry DOI: 10.7270/Q2PG1W9T
					More data for this Ligand-Target Pair

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