BindingDB PrimarySearch

BDBM50191367 17-allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride::Allyl-((4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-9-carbamoyloxy-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-aza-bicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-19-yl)-ammonium chloride::CHEMBL377559

SMILES: CO[C@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2[NH2+]CC=C

InChI Key: InChIKey=OAKGNIRUXAZDQF-QJJDEUMOSA-O

Data: 4 IC50 5 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50191367
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 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Heat shock protein 90 beta (Canis familiaris)	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	119	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of BODIPY-AG binding to dog Grp94				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Degradation of Her2 in SKBR3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	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 MM1S cells by BODIPY-AG fluorescence polarization assay				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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of imatinib-resistant PDGFR D842V mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 h...				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
Platelet-derived growth factor receptor alpha (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of imatinib-resistant PDGFR D842V mutant (unknown origin) expressed in mouse BA/F3 cells assessed as decrease in cell viability after 48 h...				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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	307	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 MM1S cells by BODIPY-AG fluorescence polarization assay				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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50191367 (17-allylamino-17-demethoxygeldanamycin hydroquinon...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Upregulation of Hsp70 in SKOV3 cells				J Med Chem 49: 4606-15 (2006) Article DOI: 10.1021/jm0603116 BindingDB Entry DOI: 10.7270/Q2RX9CWC
Infinity Pharmaceuticals, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair