BDBM50464550 CHEMBL4294168::US10464907, Compound 21a

SMILES: CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1

InChI Key: InChIKey=AQXXDVOEHJACGB-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50464550   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464550 (CHEMBL4294168 | US10464907, Compound 21a) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C17H17ClN2O4/c1-19-16(23)11-5-3-10(4-6-11)9-20(2)17(24)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,9H2,1-2H3,(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar	PC cid PC sid UniChem	US Patent	n/a	n/a	496	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
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50464550 (CHEMBL4294168 | US10464907, Compound 21a) Show SMILES CNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C17H17ClN2O4/c1-19-16(23)11-5-3-10(4-6-11)9-20(2)17(24)12-7-13(18)15(22)8-14(12)21/h3-8,21-22H,9H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	PC cid PC sid UniChem	Article PubMed	n/a	n/a	496	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