Compile Data Set for Download or QSAR

Found 204 hits with Last Name = 'seo' and Initial = 'yh'   

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
Beta-secretase 1 (Homo sapiens (Human))	BDBM50135168 (3,4,5-Trihydroxy-benzoic acid (2R,3S)-5,7-dihydrox...) Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r| Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of human Beta-secretase 1				Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50135163 (3,4,5-Trihydroxy-benzoic acid (2S,3S)-5,7-dihydrox...) Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1cc(O)c(O)c(O)c1 Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of human Beta-secretase 1				Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50494304 (CHEMBL3086710) Show SMILES Cc1cccc(C)c1Oc1nc(N)nc(Cl)n1 Show InChI InChI=1S/C11H11ClN4O/c1-6-4-3-5-7(2)8(6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H2,13,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibition of recombinant human Hsp90alpha ATP-binding pocket of N-terminal domain after 4 hrs by fluorescence polarization assay				Bioorg Med Chem Lett 23: 6427-31 (2013) Article DOI: 10.1016/j.bmcl.2013.09.050 BindingDB Entry DOI: 10.7270/Q29Z97VK
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50135164 (3,4,5-Trihydroxy-benzoic acid (2S,3S)-2-(3,4-dihyd...) Show SMILES Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1 Show InChI InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyungpook National University Curated by ChEMBL					Assay Description Inhibitory activity of the compound against recombinant human Beta-secretase 1				Bioorg Med Chem Lett 13: 3905-8 (2003) BindingDB Entry DOI: 10.7270/Q28K78HN
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464556 (CHEMBL4289811 | US10464907, Compound 21f | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C22H28N2O4/c1-5-10-23-21(27)16-8-6-15(7-9-16)13-24(4)22(28)18-11-17(14(2)3)19(25)12-20(18)26/h6-9,11-12,14,25-26H,5,10,13H2,1-4H3,(H,23,27)	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464557 (CHEMBL4279132 | US10464907, Compound 21e | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464557 (CHEMBL4279132 | US10464907, Compound 21e | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464557 (CHEMBL4279132 | US10464907, Compound 21e | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C21H26N2O4/c1-5-22-20(26)15-8-6-14(7-9-15)12-23(4)21(27)17-10-16(13(2)3)18(24)11-19(17)25/h6-11,13,24-25H,5,12H2,1-4H3,(H,22,26)	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	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464562 (CHEMBL4293186 | US10464907, Compound 21d | US10889...) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464562 (CHEMBL4293186 | US10464907, Compound 21d | US10889...) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464562 (CHEMBL4293186 | US10464907, Compound 21d | US10889...) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI InChI=1S/C20H24N2O4/c1-12(2)15-9-16(18(24)10-17(15)23)20(26)22(4)11-13-5-7-14(8-6-13)19(25)21-3/h5-10,12,23-24H,11H2,1-4H3,(H,21,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 | GELDANAMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008059 (CHEBI:5292 | GELDANAMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,21,t:13,19,32| Show InChI InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50592766 (CHEMBL5175785) Show SMILES COC(=O)c1ccc(CN(C)C(=O)c2cc(C(C)C)c(O)cc2O)cc1 Show InChI	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	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM20800 (2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...) Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)	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	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50592758 (CHEMBL5188138) Show SMILES CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccccc1 Show InChI	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	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM419585 (US10464907, Compound 21g | US10889552, Compound 21...) Show SMILES CC(C)c1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O Show InChI InChI=1S/C18H21NO3/c1-12(2)14-9-15(17(21)10-16(14)20)18(22)19(3)11-13-7-5-4-6-8-13/h4-10,12,20-21H,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM419585 (US10464907, Compound 21g | US10889552, Compound 21...) Show SMILES CC(C)c1cc(C(=O)N(C)Cc2ccccc2)c(O)cc1O Show InChI InChI=1S/C18H21NO3/c1-12(2)14-9-15(17(21)10-16(14)20)18(22)19(3)11-13-7-5-4-6-8-13/h4-10,12,20-21H,11H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207416 (CHEMBL3891745) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccccc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C22H22ClN5O/c1-13-10-25-17(14(2)19(13)29-3)12-28-11-16(9-15-7-5-4-6-8-15)18-20(23)26-22(24)27-21(18)28/h4-8,10-11H,9,12H2,1-3H3,(H2,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207419 (CHEMBL3940517) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccc(Cl)cc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C22H21Cl2N5O/c1-12-9-26-17(13(2)19(12)30-3)11-29-10-15(8-14-4-6-16(23)7-5-14)18-20(24)27-22(25)28-21(18)29/h4-7,9-10H,8,11H2,1-3H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM419586 (US10464907, Compound 17 | US10889552, Compound 17) Show SMILES CC(C)c1cc(C(=O)N2CCN(C)CC2c2ccccc2)c(O)cc1O Show InChI InChI=1S/C21H26N2O3/c1-14(2)16-11-17(20(25)12-19(16)24)21(26)23-10-9-22(3)13-18(23)15-7-5-4-6-8-15/h4-8,11-12,14,18,24-25H,9-10,13H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM419586 (US10464907, Compound 17 | US10889552, Compound 17) Show SMILES CC(C)c1cc(C(=O)N2CCN(C)CC2c2ccccc2)c(O)cc1O Show InChI InChI=1S/C21H26N2O3/c1-14(2)16-11-17(20(25)12-19(16)24)21(26)23-10-9-22(3)13-18(23)15-7-5-4-6-8-15/h4-8,11-12,14,18,24-25H,9-10,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.5	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210933 (CHEMBL3935883) Show SMILES CC(C)c1cc(C(=O)N2CCc3sccc3C2)c(O)cc1O Show InChI InChI=1S/C17H19NO3S/c1-10(2)12-7-13(15(20)8-14(12)19)17(21)18-5-3-16-11(9-18)4-6-22-16/h4,6-8,10,19-20H,3,5,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207421 (CHEMBL3910684) Show SMILES COc1c(C)cnc(Cn2cc(Cc3cccc(C)c3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C23H24ClN5O/c1-13-6-5-7-16(8-13)9-17-11-29(22-19(17)21(24)27-23(25)28-22)12-18-15(3)20(30-4)14(2)10-26-18/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					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	51	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50008057 (BMS-722782 | CHEBI:64153 | TANESPIMYCIN) Show SMILES CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O |r,c:7,23,t:15,21,34| Show InChI InChI=1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50531609 (CHEMBL4437432) Show SMILES ONC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 Show InChI InChI=1S/C15H9NO4/c17-13-9-3-1-2-4-10(9)14(18)12-7-8(15(19)16-20)5-6-11(12)13/h1-7,20H,(H,16,19)	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	56	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate-3 by fluorescence assay				Eur J Med Chem 164: 263-272 (2019) Article DOI: 10.1016/j.ejmech.2018.12.056 BindingDB Entry DOI: 10.7270/Q279485Z
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50592767 (CHEMBL5177655) Show SMILES CC(C)c1cc(C(=O)N(C)Cc2ccc(cc2)C(O)=O)c(O)cc1O Show InChI	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	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207414 (CHEMBL3929614) Show SMILES COc1c(C)cnc(Cn2cc(Cc3ccc(C)cc3)c3c(Cl)nc(N)nc23)c1C Show InChI InChI=1S/C23H24ClN5O/c1-13-5-7-16(8-6-13)9-17-11-29(22-19(17)21(24)27-23(25)28-22)12-18-15(3)20(30-4)14(2)10-26-18/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50592757 (CHEMBL5174143) Show SMILES CC(C)c1cc(C(=O)N(C)Cc2ccc(cc2)C(=O)NO)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM419566 (US10464907, Compound 11j | US10889552, Compound 11...) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H19ClN2O3/c1-20-7-8-21(15(11-20)12-5-3-2-4-6-12)18(24)13-9-14(19)17(23)10-16(13)22/h2-6,9-10,15,22-23H,7-8,11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM419566 (US10464907, Compound 11j | US10889552, Compound 11...) Show SMILES CN1CCN(C(C1)c1ccccc1)C(=O)c1cc(Cl)c(O)cc1O Show InChI InChI=1S/C18H19ClN2O3/c1-20-7-8-21(15(11-20)12-5-3-2-4-6-12)18(24)13-9-14(19)17(23)10-16(13)22/h2-6,9-10,15,22-23H,7-8,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207418 (CHEMBL3922135) Show SMILES COc1cc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)ccc1Br Show InChI InChI=1S/C23H23BrClN5O2/c1-12-9-27-17(13(2)20(12)32-4)11-30-10-15(19-21(25)28-23(26)29-22(19)30)7-14-5-6-16(24)18(8-14)31-3/h5-6,8-10H,7,11H2,1-4H3,(H2,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50207420 (CHEMBL3901656) Show SMILES COc1ccc(Cc2cn(Cc3ncc(C)c(OC)c3C)c3nc(N)nc(Cl)c23)cc1 Show InChI InChI=1S/C23H24ClN5O2/c1-13-10-26-18(14(2)20(13)31-4)12-29-11-16(9-15-5-7-17(30-3)8-6-15)19-21(24)27-23(25)28-22(19)29/h5-8,10-11H,9,12H2,1-4H3,(H2,25,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Inhibition of FITC-labeled geldanamycin binding to human Hsp90alpha by fluorescence polarization assay				Bioorg Med Chem Lett 27: 237-241 (2017) Article DOI: 10.1016/j.bmcl.2016.11.062 BindingDB Entry DOI: 10.7270/Q28W3G91
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) by fluorescence assay				Eur J Med Chem 164: 263-272 (2019) Article DOI: 10.1016/j.ejmech.2018.12.056 BindingDB Entry DOI: 10.7270/Q279485Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50592757 (CHEMBL5174143) Show SMILES CC(C)c1cc(C(=O)N(C)Cc2ccc(cc2)C(=O)NO)c(O)cc1O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using fluorogenic HDAC substrate-3 by fluorescence assay				Eur J Med Chem 164: 263-272 (2019) Article DOI: 10.1016/j.ejmech.2018.12.056 BindingDB Entry DOI: 10.7270/Q279485Z
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464555 (CHEMBL4292004 | US10464907, Compound 14c | US10889...) Show SMILES COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C16H16ClNO4/c1-18(9-10-3-5-11(22-2)6-4-10)16(21)12-7-13(17)15(20)8-14(12)19/h3-8,19-20H,9H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
INDUSTRY ACADEMIC COOPERATION FOUNDATION KEIMYUNG UNIVERSITY US Patent					Assay Description Fluorescence polarization assay was performed to confirm the binding ability to the compound synthesized with HSP90 according the concentration. 1 M ...				US Patent US10464907 (2019) BindingDB Entry DOI: 10.7270/Q2MC92C5
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464555 (CHEMBL4292004 | US10464907, Compound 14c | US10889...) Show SMILES COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C16H16ClNO4/c1-18(9-10-3-5-11(22-2)6-4-10)16(21)12-7-13(17)15(20)8-14(12)19/h3-8,19-20H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
ONCOZEN CO.. LTD. US Patent					Assay Description Endonuclease activity assays were carried out in Black Costar 96-well plates. Each well contained a total volume of 100 μL comprised of: buffer ...				US Patent US10889552 (2021) BindingDB Entry DOI: 10.7270/Q2WH2T2F
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464555 (CHEMBL4292004 | US10464907, Compound 14c | US10889...) Show SMILES COc1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C16H16ClNO4/c1-18(9-10-3-5-11(22-2)6-4-10)16(21)12-7-13(17)15(20)8-14(12)19/h3-8,19-20H,9H2,1-2H3	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to N-terminal domain of recombinant full-length HSP90alpha (unknown origin) after 16 hrs by fluorescence pola...				Eur J Med Chem 143: 390-401 (2018) Article DOI: 10.1016/j.ejmech.2017.11.054 BindingDB Entry DOI: 10.7270/Q29C713M
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210934 (CHEMBL3950691) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccsc2C1 Show InChI InChI=1S/C14H12ClNO3S/c15-10-5-9(11(17)6-12(10)18)14(19)16-3-1-8-2-4-20-13(8)7-16/h2,4-6,17-18H,1,3,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50210939 (CHEMBL3913987) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C16H14ClNO3/c17-13-7-12(14(19)8-15(13)20)16(21)18-6-5-10-3-1-2-4-11(10)9-18/h1-4,7-8,19-20H,5-6,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	183	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of fluorescein isothiocyanate labeled geldanamycin binding to N-terminal domain of full length human recombinant Hsp90alpha expressed in E...				Eur J Med Chem 124: 1069-1080 (2016) Article DOI: 10.1016/j.ejmech.2016.10.038 BindingDB Entry DOI: 10.7270/Q29G5PZZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50592763 (CHEMBL5208908) Show SMILES CCN(Cc1ccc(cc1)C(=O)NO)C(=O)c1cc(C(C)C)c(O)cc1O Show InChI	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	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114582 BindingDB Entry DOI: 10.7270/Q28S4TW4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate-3 by fluorescence assay				Eur J Med Chem 164: 263-272 (2019) Article DOI: 10.1016/j.ejmech.2018.12.056 BindingDB Entry DOI: 10.7270/Q279485Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	236	n/a	n/a	n/a	n/a	n/a	n/a
Keimyung University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate-3 by fluorescence assay				Eur J Med Chem 164: 263-272 (2019) Article DOI: 10.1016/j.ejmech.2018.12.056 BindingDB Entry DOI: 10.7270/Q279485Z
					More data for this Ligand-Target Pair				3D Structure (crystal)

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