BindingDB PrimarySearch

BDBM50005781 ALVESPIMYCIN::CHEBI:65324

SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCN(C)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

InChI Key: InChIKey=KUFRQPKVAWMTJO-LMZWQJSESA-N

Data: 16 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50005781
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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-beta (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full-length HSP90 (unknown origin) expressed in Escherichia coli assessed as inhibition of ATPase activity after 3 hrs by spectrophotom...				Eur J Med Chem 79: 399-412 (2014) Article DOI: 10.1016/j.ejmech.2014.03.061 BindingDB Entry DOI: 10.7270/Q2QJ7JTP
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human SKBR3 cells				J Med Chem 59: 5563-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01106
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of full-length Hsp90-ATPase activity (unknown origin) assessed as inhibition of ATP hydrolysis by spectrophotometry				Bioorg Med Chem Lett 24: 1557-61 (2014) Article DOI: 10.1016/j.bmcl.2014.01.070 BindingDB Entry DOI: 10.7270/Q2HM5CFR
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIF1 activation in human AGS cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay				J Nat Prod 70: 1093-7 (2007) Article DOI: 10.1021/np060482d BindingDB Entry DOI: 10.7270/Q2BV7KDD
					More data for this Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of HIF1 activation in human Hep3B cells assessed as inhibition of hypoxia-induced luciferase expression after 16 hrs by reporter assay				J Nat Prod 70: 1093-7 (2007) Article DOI: 10.1021/np060482d BindingDB Entry DOI: 10.7270/Q2BV7KDD
					More data for this Ligand-Target Pair
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human Hep3B cells by pGL3-HRE-luciferase reporter gene assay				J Nat Prod 72: 39-43 (2009) Article DOI: 10.1021/np800491u BindingDB Entry DOI: 10.7270/Q27947GK
					More data for this Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis				J Nat Prod 72: 39-43 (2009) Article DOI: 10.1021/np800491u BindingDB Entry DOI: 10.7270/Q27947GK
					More data for this Ligand-Target Pair
von Hippel-Lindau disease tumor suppressor/Elongin-C/Elongin-B/HIF1A (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Korean Research Institute of Biosciences and Biotechnology Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1alpha protein accumulation in human Hep3B cells treated for 30 mins measured after 12 hrs by Western blot analysis				J Nat Prod 73: 1167-9 (2010) Article DOI: 10.1021/np900820p BindingDB Entry DOI: 10.7270/Q2TH8QHP
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human H1299 assessed as degradation of Hsp90 client protein Akt				J Med Chem 53: 499-503 (2010) Article DOI: 10.1021/jm901209q BindingDB Entry DOI: 10.7270/Q2HH6NW7
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Bioscience and Biotechnology Curated by ChEMBL					Assay Description Inhibition of hypoxia-induced HIF1 activation in human AGS cells by reporter gene assay				Bioorg Med Chem Lett 18: 2619-23 (2008) Article DOI: 10.1016/j.bmcl.2008.03.028 BindingDB Entry DOI: 10.7270/Q2Z322FR
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human MDA-MB-231 cells assessed as Akt degradation				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human MDA-MB-231 cells assessed as her2 degradation				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2058 cells assessed as Akt degradation				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	7.90	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human A2058 cells				Bioorg Med Chem Lett 18: 6273-8 (2008) Article DOI: 10.1016/j.bmcl.2008.09.081 BindingDB Entry DOI: 10.7270/Q29C717D
Pfizer Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	919	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of 6x-His tagged human recombinant full length Hsp90alpha ATPase preincubated for 0.5 hrs followed by ATP addition measured after 30 mins ...				Bioorg Med Chem 24: 4626-4635 (2016) Article DOI: 10.1016/j.bmc.2016.07.067
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Hsp90 in human SKBR3 cells				J Med Chem 59: 5563-86 (2016) Article DOI: 10.1021/acs.jmedchem.5b01106
Chinese Academy of Sciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50005781 (ALVESPIMYCIN \| CHEBI:65324) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of FITC-geldanamycin from HSP90 (unknown origin) after 30 mins by fluorescence polarization assay				Eur J Med Chem 79: 399-412 (2014) Article DOI: 10.1016/j.ejmech.2014.03.061 BindingDB Entry DOI: 10.7270/Q2QJ7JTP
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)