Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50464549'   

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))	BDBM50464549 (CHEMBL4278768 | US10464907, Compound 14a | US10889...) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)NCc1ccccc1 Show InChI InChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(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	>1.00E+3	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))	BDBM50464549 (CHEMBL4278768 | US10464907, Compound 14a | US10889...) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)NCc1ccccc1 Show InChI InChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,16,19)	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	6.68E+3	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)	BDBM50464549 (CHEMBL4278768 | US10464907, Compound 14a | US10889...) Show SMILES Oc1cc(O)c(cc1Cl)C(=O)NCc1ccccc1 Show InChI InChI=1S/C14H12ClNO3/c15-11-6-10(12(17)7-13(11)18)14(19)16-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2,(H,16,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.68E+3	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