BDBM50361694 CHEMBL1940942

SMILES: CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](C1)C(O)=O)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=LMULWMIHUXAPGS-NEPJUHHUSA-N

Data: 1 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 1 hit for monomerid = 50361694   

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-beta (Homo sapiens (Human))	BDBM50361694 (CHEMBL1940942) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@@H]1CC[C@@H](C1)C(O)=O)-c1cc(C(C)C)c(O)cc1O |r| Show InChI InChI=1S/C22H27N3O7/c1-4-23-21(29)18-17(24-20(28)11-5-6-12(7-11)22(30)31)19(32-25-18)14-8-13(10(2)3)15(26)9-16(14)27/h8-12,26-27H,4-7H2,1-3H3,(H,23,29)(H,24,28)(H,30,31)/t11-,12+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Ferrara Curated by ChEMBL					Assay Description Binding affinity to Hsp90 after 4 hrs by fluorescence polarization assay				J Med Chem 54: 8592-604 (2011) Article DOI: 10.1021/jm201155e BindingDB Entry DOI: 10.7270/Q2QF8T9M
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