Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with all data for entry = 3957   

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 HSP 90-alpha (Homo sapiens (Human))	BDBM40741 (8-amino-6-quinolinol | 8-aminoquinolin-6-ol | 8-az...) Show SMILES Nc1cc(O)cc2cccnc12 Show InChI InChI=1S/C9H8N2O/c10-8-5-7(12)4-6-2-1-3-11-9(6)8/h1-5,12H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	<625	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	<1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	2.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32068 (1-ethyl-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,...) Show SMILES CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(ccc12)C(O)=O |(9.6,14.75,;8.1,14.43,;7.62,12.97,;8.52,11.73,;10.06,11.73,;10.83,10.4,;12.37,10.4,;13.27,11.64,;14.74,11.17,;14.74,9.63,;15.98,8.72,;17.39,9.35,;18.64,8.44,;18.48,6.91,;17.07,6.28,;15.82,7.19,;13.27,9.15,;12.8,7.69,;13.83,6.54,;13.35,5.08,;11.85,4.76,;10.81,5.9,;11.29,7.36,;10.26,8.51,;7.62,10.49,;6.16,10.96,;4.83,10.19,;3.49,10.96,;3.49,12.5,;4.83,13.27,;6.16,12.5,;2.16,10.19,;.83,10.96,;2.16,8.65,)| Show InChI InChI=1S/C25H22N6O2S/c1-3-30-21-11-10-17(24(32)33)13-19(21)27-22(30)15-34-25-29-28-23(18-8-6-12-26-14-18)31(25)20-9-5-4-7-16(20)2/h4-14H,3,15H2,1-2H3,(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32256 ((6-methoxy-8-quinolyl)-[2-(sec-butylamino)ethyl]am...) Show SMILES CCC(C)NCCNc1cc(OC)cc2cccnc12 Show InChI InChI=1S/C16H23N3O/c1-4-12(2)17-8-9-18-15-11-14(20-3)10-13-6-5-7-19-16(13)15/h5-7,10-12,17-18H,4,8-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40739 (8-[5-(diethylamino)pentan-2-ylamino]-6-quinolinol ...) Show SMILES CCN(CC)CCCC(C)Nc1cc(O)cc2cccnc12 Show InChI InChI=1S/C18H27N3O/c1-4-21(5-2)11-7-8-14(3)20-17-13-16(22)12-15-9-6-10-19-18(15)17/h6,9-10,12-14,20,22H,4-5,7-8,11H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40735 (3-[(5-anilino-6-methoxy-8-quinolyl)amino]propyl-di...) Show SMILES CCN(CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12 Show InChI InChI=1S/C23H30N4O/c1-4-27(5-2)16-10-15-24-20-17-21(28-3)23(19-13-9-14-25-22(19)20)26-18-11-7-6-8-12-18/h6-9,11-14,17,24,26H,4-5,10,15-16H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32223 (3-aminonaphthalene-1,2-diol | 3-azanylnaphthalene-...) Show SMILES Nc1cc2ccccc2c(O)c1O Show InChI InChI=1S/C10H9NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10(8)13/h1-5,12-13H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32142 (5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...) Show SMILES Nc1ccc(O)c2ncccc12 Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32221 (5,7-bis(azanyl)quinolin-8-ol | 5,7-diamino-8-quino...) Show SMILES Nc1cc(N)c2cccnc2c1O Show InChI InChI=1S/C9H9N3O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,10-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32220 (8-[5-(isopropylamino)pentylamino]quinolin-6-ol | 8...) Show SMILES CC(C)NCCCCCNc1cc(O)cc2cccnc12 Show InChI InChI=1S/C17H25N3O/c1-13(2)18-8-4-3-5-9-19-16-12-15(21)11-14-7-6-10-20-17(14)16/h6-7,10-13,18-19,21H,3-5,8-9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32219 (8-(5-aminopentylamino)-6-quinolinol | 8-(5-aminope...) Show SMILES NCCCCCNc1cc(O)cc2cccnc12 Show InChI InChI=1S/C14H19N3O/c15-6-2-1-3-7-16-13-10-12(18)9-11-5-4-8-17-14(11)13/h4-5,8-10,16,18H,1-3,6-7,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32214 (3-amino-1,2-dihydroxy-9,10-anthraquinone | 3-amino...) Show SMILES Nc1cc2C(=O)c3ccccc3C(=O)c2c(O)c1O Show InChI InChI=1S/C14H9NO4/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,18-19H,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32207 (8-nitro-6-quinolinol | 8-nitroquinolin-6-ol | cid_...) Show SMILES Oc1cc([N+]([O-])=O)c2ncccc2c1 Show InChI InChI=1S/C9H6N2O3/c12-7-4-6-2-1-3-10-9(6)8(5-7)11(13)14/h1-5,12H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32202 (8-[4-(dimethylamino)butan-2-ylamino]-6-quinolinol ...) Show SMILES CC(CCN(C)C)Nc1cc(O)cc2cccnc12 Show InChI InChI=1S/C15H21N3O/c1-11(6-8-18(2)3)17-14-10-13(19)9-12-5-4-7-16-15(12)14/h4-5,7,9-11,17,19H,6,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32201 (8-[5-(propan-2-ylamino)pentan-2-ylamino]-6-quinoli...) Show SMILES CC(C)NCCCC(C)Nc1cc(O)cc2cccnc12 Show InChI InChI=1S/C17H25N3O/c1-12(2)18-8-4-6-13(3)20-16-11-15(21)10-14-7-5-9-19-17(14)16/h5,7,9-13,18,20-21H,4,6,8H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32180 (3-(aminomethyl)-4-fluoranyl-N-(6-oxidanylquinolin-...) Show SMILES NCc1cc(ccc1F)S(=O)(=O)Nc1cc(O)cc2cccnc12 Show InChI InChI=1S/C16H14FN3O3S/c17-14-4-3-13(7-11(14)9-18)24(22,23)20-15-8-12(21)6-10-2-1-5-19-16(10)15/h1-8,20-21H,9,18H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32073 ((7R,11S)-11-methyl-7,15,17-tris(oxidanyl)-12-oxabi...) Show SMILES C[C@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H26O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,14,19-21H,2-9H2,1H3/t12-,14+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32079 ((6E)-6-[4-(1,3-benzodioxol-5-yl)-1,2-dihydropyrazo...) Show SMILES CCc1cc(-c2n[nH]cc2-c2ccc3OCOc3c2)c(O)cc1O Show InChI InChI=1S/C18H16N2O4/c1-2-10-5-12(15(22)7-14(10)21)18-13(8-19-20-18)11-3-4-16-17(6-11)24-9-23-16/h3-8,21-22H,2,9H2,1H3,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32050 (MLS000080844 | SMR000044769 | cid_663844) Show SMILES O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23 Show InChI InChI=1S/C20H16N4O2/c25-19-13-4-1-2-5-14(13)20-18-16(23-26-20)7-6-15(17(18)19)22-8-3-10-24-11-9-21-12-24/h1-2,4-7,9,11-12,22H,3,8,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32135 (4-[4-(3,4-dihydroxyphenyl)-3H-1,3-thiazol-2-yliden...) Show SMILES Oc1ccc(cc1)-c1nc(cs1)-c1ccc(O)c(O)c1 Show InChI InChI=1S/C15H11NO3S/c17-11-4-1-9(2-5-11)15-16-12(8-20-15)10-3-6-13(18)14(19)7-10/h1-8,17-19H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32019 ((11S)-11-methyl-15,17-bis(oxidanyl)-12-oxabicyclo[...) Show SMILES C[C@H]1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1 Show InChI InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32022 ((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32074 (1-ethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfa...) Show SMILES CCn1c(CSc2nnc3ccccn23)nc2cc(ccc12)C(O)=O Show InChI InChI=1S/C17H15N5O2S/c1-2-21-13-7-6-11(16(23)24)9-12(13)18-15(21)10-25-17-20-19-14-5-3-4-8-22(14)17/h3-9H,2,10H2,1H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32020 (4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyro...) Show SMILES CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1 Show InChI InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32064 (4-(6-fluoranyl-3-methyl-4-oxidanylidene-chromen-2-...) Show SMILES Cc1c(oc2ccc(F)cc2c1=O)-c1nn(C)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13FN2O3/c1-10-17(23)14-9-11(20)7-8-15(14)25-18(10)16-12-5-3-4-6-13(12)19(24)22(2)21-16/h3-9H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32061 (1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyr...) Show SMILES Nc1nc(cc2c(C#N)c(nc(N)c12)N1CCCC1)N1CCCC1 Show InChI InChI=1S/C17H21N7/c18-10-12-11-9-13(23-5-1-2-6-23)21-15(19)14(11)16(20)22-17(12)24-7-3-4-8-24/h9H,1-8H2,(H2,19,21)(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32150 (3-cyano-4-fluoranyl-N-(6-oxidanylquinolin-8-yl)ben...) Show SMILES Oc1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)c2ncccc2c1 Show InChI InChI=1S/C16H10FN3O3S/c17-14-4-3-13(7-11(14)9-18)24(22,23)20-15-8-12(21)6-10-2-1-5-19-16(10)15/h1-8,20-21H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.38E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32159 (N-[3-[(2,5-dichlorophenyl)sulfonylamino]-2-(2-hydr...) Show SMILES CC(C)(C)OC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1-c1ccccc1O |(17.81,-4.39,;17.04,-3.05,;18.37,-2.28,;15.7,-3.82,;16.27,-1.72,;14.73,-1.72,;13.96,-3.05,;13.96,-.39,;12.42,-.39,;12.42,-1.93,;11.08,-2.7,;9.75,-1.93,;9.75,-.39,;8.41,.39,;7.08,-.39,;6.31,.95,;7.85,-1.72,;5.75,-1.16,;5.75,-2.7,;4.41,-3.47,;4.41,-5.01,;3.08,-2.7,;3.08,-1.16,;4.41,-.39,;4.41,1.16,;11.08,.39,;11.08,1.93,;9.75,2.7,;9.75,4.24,;11.08,5.01,;12.42,4.24,;12.42,2.7,;13.96,2.7,)| Show InChI InChI=1S/C23H22Cl2N2O5S/c1-23(2,3)32-22(29)26-17-8-6-9-18(21(17)15-7-4-5-10-19(15)28)27-33(30,31)20-13-14(24)11-12-16(20)25/h4-13,27-28H,1-3H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	4.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40733 (N-(6-methoxy-8-quinolinyl)-2,4-dinitrobenzenesulfo...) Show SMILES COc1cc(NS(=O)(=O)c2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c2ncccc2c1 Show InChI InChI=1S/C16H12N4O7S/c1-27-12-7-10-3-2-6-17-16(10)13(9-12)18-28(25,26)15-5-4-11(19(21)22)8-14(15)20(23)24/h2-9,18H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40734 ((6-methoxy-8-quinolyl)amine | 6-methoxy-8-quinolin...) Show SMILES COc1cc(N)c2ncccc2c1 Show InChI InChI=1S/C10H10N2O/c1-13-8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50149893 (4-(6-Methoxy-quinolin-8-ylamino)-pentyl-ammonium |...) Show SMILES COc1cc(NC(C)CCC[NH3+])c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50149893 (4-(6-Methoxy-quinolin-8-ylamino)-pentyl-ammonium |...) Show SMILES COc1cc(NC(C)CCC[NH3+])c2ncccc2c1 Show InChI InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32142 (5-amino-8-quinolinol | 5-aminoquinolin-8-ol | 5-az...) Show SMILES Nc1ccc(O)c2ncccc12 Show InChI InChI=1S/C9H8N2O/c10-7-3-4-8(12)9-6(7)2-1-5-11-9/h1-5,12H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32151 (N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzodioxol-4-yl)...) Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccc(F)c(c1)-c1c2OCOc2ccc1O |(9.24,7.7,;9.24,6.16,;10.58,5.39,;10.58,3.85,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,,;7.91,-.77,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,;6.57,-3.08,;7.91,-2.31,;6.57,-4.62,;7.91,-5.39,;9.37,-4.92,;10.26,-6.16,;9.37,-7.4,;7.91,-6.93,;6.57,-7.7,;5.24,-6.93,;5.24,-5.39,;3.91,-4.62,)| Show InChI InChI=1S/C20H16FNO5S/c1-12-2-5-14(6-3-12)28(24,25)22-13-4-7-16(21)15(10-13)19-17(23)8-9-18-20(19)27-11-26-18/h2-10,22-23H,11H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32193 (1-N-(4-chloro-6-methoxyquinolin-8-yl)pentane-1,4-d...) Show SMILES COc1cc(NCCCC(C)N)c2nccc(Cl)c2c1 Show InChI InChI=1S/C15H20ClN3O/c1-10(17)4-3-6-18-14-9-11(20-2)8-12-13(16)5-7-19-15(12)14/h5,7-10,18H,3-4,6,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32194 (3-cyano-4-fluoranyl-N-[4-fluoranyl-3-(5-oxidanyl-1...) Show SMILES Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(F)c(c2)C#N)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,6.93,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)| Show InChI InChI=1S/C20H12F2N2O5S/c21-15-4-2-13(7-11(15)9-23)30(26,27)24-12-1-3-16(22)14(8-12)19-17(25)5-6-18-20(19)29-10-28-18/h1-8,24-25H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32195 (4-chloranyl-N-[4-fluoranyl-3-(5-oxidanyl-1,3-benzo...) Show SMILES Oc1ccc2OCOc2c1-c1cc(NS(=O)(=O)c2ccc(Cl)c(c2)[N+]([O-])=O)ccc1F |(3.91,-4.62,;5.24,-5.39,;5.24,-6.93,;6.57,-7.7,;7.91,-6.93,;9.37,-7.4,;10.26,-6.16,;9.37,-4.92,;7.91,-5.39,;6.57,-4.62,;6.57,-3.08,;7.91,-2.31,;7.91,-.77,;9.24,,;9.24,1.54,;10.78,1.54,;7.7,1.54,;9.24,3.08,;7.91,3.85,;7.91,5.39,;9.24,6.16,;9.24,7.7,;10.58,5.39,;10.58,3.85,;11.91,6.16,;13.24,5.39,;11.91,7.7,;6.57,,;5.24,-.77,;5.24,-2.31,;3.91,-3.08,)| Show InChI InChI=1S/C19H12ClFN2O7S/c20-13-3-2-11(8-15(13)23(25)26)31(27,28)22-10-1-4-14(21)12(7-10)18-16(24)5-6-17-19(18)30-9-29-17/h1-8,22,24H,9H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32199 (5-amino-2-naphthalenol | 5-amino-2-naphthol | 5-am...) Show SMILES Nc1cccc2cc(O)ccc12 Show InChI InChI=1S/C10H9NO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-6,12H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32204 (4-[2-(diethylamino)-1-hydroxy-ethyl]quinolin-8-ol ...) Show SMILES CCN(CC)CC(O)c1ccnc2c(O)cccc12 Show InChI InChI=1S/C15H20N2O2/c1-3-17(4-2)10-14(19)11-8-9-16-15-12(11)6-5-7-13(15)18/h5-9,14,18-19H,3-4,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32209 ((2,3-dimethyl-1H-indol-7-yl)amine | 2,3-dimethyl-1...) Show SMILES Cc1[nH]c2c(N)cccc2c1C Show InChI InChI=1S/C10H12N2/c1-6-7(2)12-10-8(6)4-3-5-9(10)11/h3-5,12H,11H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32217 (5-amino-2-(1,3-benzothiazol-2-ylamino)phenol | 5-a...) Show SMILES Nc1ccc(Nc2nc3ccccc3s2)c(O)c1 Show InChI InChI=1S/C13H11N3OS/c14-8-5-6-9(11(17)7-8)15-13-16-10-3-1-2-4-12(10)18-13/h1-7,17H,14H2,(H,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32255 (N-(6-methoxy-8-quinolinyl)-N',N'-bis(2-methylpropy...) Show SMILES COc1cc(NCCN(CC(C)C)CC(C)C)c2ncccc2c1 Show InChI InChI=1S/C20H31N3O/c1-15(2)13-23(14-16(3)4)10-9-21-19-12-18(24-5)11-17-7-6-8-22-20(17)19/h6-8,11-12,15-16,21H,9-10,13-14H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40736 ((5,6-dimethoxy-8-quinolyl)-[4-(isopropylamino)-1-m...) Show SMILES COc1cc(NC(C)CCCNC(C)C)c2ncccc2c1OC Show InChI InChI=1S/C19H29N3O2/c1-13(2)20-10-6-8-14(3)22-16-12-17(23-4)19(24-5)15-9-7-11-21-18(15)16/h7,9,11-14,20,22H,6,8,10H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40737 (3-[(5-chloro-6-methoxy-8-quinolyl)amino]propyl-dii...) Show SMILES COc1cc(NCCCN(CC(C)C)CC(C)C)c2ncccc2c1Cl Show InChI InChI=1S/C21H32ClN3O/c1-15(2)13-25(14-16(3)4)11-7-10-23-18-12-19(26-5)20(22)17-8-6-9-24-21(17)18/h6,8-9,12,15-16,23H,7,10-11,13-14H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40738 (4-aminobutyl-(6-methoxy-8-quinolyl)amine | N'-(6-m...) Show SMILES COc1cc(NCCCCN)c2ncccc2c1 Show InChI InChI=1S/C14H19N3O/c1-18-12-9-11-5-4-8-17-14(11)13(10-12)16-7-3-2-6-15/h4-5,8-10,16H,2-3,6-7,15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM40740 (3-[(2,6-dimethoxy-8-quinolyl)amino]propyl-diethyl-...) Show SMILES CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12 Show InChI InChI=1S/C18H27N3O2/c1-5-21(6-2)11-7-10-19-16-13-15(22-3)12-14-8-9-17(23-4)20-18(14)16/h8-9,12-13,19H,5-7,10-11H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM32257 (1-(diisobutylamino)-3-[(6-methoxy-2-methyl-8-quino...) Show SMILES COc1cc(NCC(O)CN(CC(C)C)CC(C)C)c2nc(C)ccc2c1 Show InChI InChI=1S/C22H35N3O2/c1-15(2)12-25(13-16(3)4)14-19(26)11-23-21-10-20(27-6)9-18-8-7-17(5)24-22(18)21/h7-10,15-16,19,23,26H,11-14H2,1-6H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Molecular Libraries Screening Center Curated by PubChem BioAssay					Assay Description Emory Chemistry-Biology Discovery Center Assay Overview: MLSCN Grant: 1 X01MH78953-01 Hsp90 is a chaperon with important roles in maintaining transfo...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25M643N
					More data for this Ligand-Target Pair

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