BindingDB PrimarySearch

Found 17 hits of ic50 for monomerid = 20800
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
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	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90alpha				J Med Chem 55: 7786-95 (2012) Article DOI: 10.1021/jm300810x BindingDB Entry DOI: 10.7270/Q2V125Z3
Biogen Idec Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (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	PDB MMDB 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	7	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated client protein HER2 degradation				J Med Chem 53: 3-17 (2010) Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J
Biogen Idec Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB D3R	n/a	n/a	15.6	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description FRET Assay 1				D3R 408: (2016) BindingDB Entry DOI: 10.7270/Q2VX0FC0
D3R					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (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	PDB MMDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Inhibition of Hsp90 assessed as Her2 degradation by cell based assay				Bioorg Med Chem 17: 2225-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.087 BindingDB Entry DOI: 10.7270/Q2T72JCS
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (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	PDB MMDB 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	38	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inhibition of HSP90-mediated client protein HER2 degradation in human MCF7 cells				J Med Chem 53: 3-17 (2010) Article DOI: 10.1021/jm9004708 BindingDB Entry DOI: 10.7270/Q2GM889J
Biogen Idec Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Ulsan National Institutes of Science and Technology (UNIST) Curated by ChEMBL					Assay Description Inhibition of FITC3-labeled PU-H71 binding to recombinant HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assay				J Med Chem 60: 7569-7578 (2017) Article DOI: 10.1021/acs.jmedchem.7b00978 BindingDB Entry DOI: 10.7270/Q2J968H0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HSP90a (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
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	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of FITC-geldanamycin binding to HSP90alpha (unknown origin) after 3 hrs by fluorescence polarization assay				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
Taipei Medical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein 75 kDa, mitochondrial (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	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	90	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...				J Med Chem 56: 6803-18 (2013) Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Endoplasmin (Canis familiaris)	BDBM20800 (2-amino-6-halopurine analogue, 20 \| 6-chloro-9-[(4...) Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	124	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of 5-(3-(3-(6-amino-8-(6-iodobenzo[d][1,3]dioxol-5-ylthio)-9H-purin-9-yl)propyl)thioureido)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic a...				J Med Chem 56: 6803-18 (2013) Article DOI: 10.1021/jm400619b BindingDB Entry DOI: 10.7270/Q2PN972K
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (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	PDB MMDB 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	140	n/a	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd. Curated by ChEMBL					Assay Description Binding affinity to Hsp90 nucleotide binding domain in human BT474 cells				J Med Chem 53: 7280-6 (2010) Article DOI: 10.1021/jm100342z BindingDB Entry DOI: 10.7270/Q25X2956
Vernalis R&D Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein 75 kDa, mitochondrial (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	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	535	n/a	n/a	n/a	n/a	n/a	n/a
Ulsan National Institutes of Science and Technology (UNIST) Curated by ChEMBL					Assay Description Inhibition of FITC3-labeled PU-H71 binding to recombinant human N-terminal His6-tagged TRAP1 (60 to 561 residues) expressed in Escherichia coli BL21(...				J Med Chem 60: 7569-7578 (2017) Article DOI: 10.1021/acs.jmedchem.7b00978 BindingDB Entry DOI: 10.7270/Q2J968H0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa nuclear extract using Ac-Lys(Ac)-pNA as substrate measured after 30 mins by fluorometric analysis				Eur J Med Chem 150: 667-677 (2018) Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM
Taipei Medical University Curated by ChEMBL					More data for this Ligand-Target Pair
Histone deacetylase (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	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using fluorescence substrate incubated for 30 mins by fluorescence based assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112086 BindingDB Entry DOI: 10.7270/Q2HX1H96
TBA					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	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	5.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112540 BindingDB Entry DOI: 10.7270/Q24Q7ZR6
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha/90-beta (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	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of HSP90 (unknown origin) assessed as competition of fluorescently labelled geldanamycin binding after 2 hrs by microplate reader analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113428 BindingDB Entry DOI: 10.7270/Q2DV1PN4
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)