BDBM50464561 CHEMBL4283580::US10464907, Compound 21b::US10889552, Compound 21b

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

InChI Key: InChIKey=UWAJRQKCRVYQAX-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50464561   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50464561 (CHEMBL4283580 | US10464907, Compound 21b | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C18H19ClN2O4/c1-3-20-17(24)12-6-4-11(5-7-12)10-21(2)18(25)13-8-14(19)16(23)9-15(13)22/h4-9,22-23H,3,10H2,1-2H3,(H,20,24)	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	612	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))	BDBM50464561 (CHEMBL4283580 | US10464907, Compound 21b | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C18H19ClN2O4/c1-3-20-17(24)12-6-4-11(5-7-12)10-21(2)18(25)13-8-14(19)16(23)9-15(13)22/h4-9,22-23H,3,10H2,1-2H3,(H,20,24)	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	612	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)
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Bovine)	BDBM50464561 (CHEMBL4283580 | US10464907, Compound 21b | US10889...) Show SMILES CCNC(=O)c1ccc(CN(C)C(=O)c2cc(Cl)c(O)cc2O)cc1 Show InChI InChI=1S/C18H19ClN2O4/c1-3-20-17(24)12-6-4-11(5-7-12)10-21(2)18(25)13-8-14(19)16(23)9-15(13)22/h4-9,22-23H,3,10H2,1-2H3,(H,20,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	612	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