Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM50464558'   

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))	BDBM50464558 (CHEMBL4282602 | US10464907, Compound 21c | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C19H21ClN2O4/c1-3-8-21-18(25)13-6-4-12(5-7-13)11-22(2)19(26)14-9-15(20)17(24)10-16(14)23/h4-7,9-10,23-24H,3,8,11H2,1-2H3,(H,21,25)	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	454	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))	BDBM50464558 (CHEMBL4282602 | US10464907, Compound 21c | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C19H21ClN2O4/c1-3-8-21-18(25)13-6-4-12(5-7-13)11-22(2)19(26)14-9-15(20)17(24)10-16(14)23/h4-7,9-10,23-24H,3,8,11H2,1-2H3,(H,21,25)	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	454	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)	BDBM50464558 (CHEMBL4282602 | US10464907, Compound 21c | US10889...) Show SMILES CCCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C19H21ClN2O4/c1-3-8-21-18(25)13-6-4-12(5-7-13)11-22(2)19(26)14-9-15(20)17(24)10-16(14)23/h4-7,9-10,23-24H,3,8,11H2,1-2H3,(H,21,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	454	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