BDBM50361703 CHEMBL1941052

SMILES: CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=BYAGRVGRUDLLDR-UHFFFAOYSA-N

Data: 2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50361703   

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 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50361703 (CHEMBL1941052) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H25N3O6/c1-5-24-23(30)20-19(25-22(29)13-6-8-14(31-4)9-7-13)21(32-26-20)16-10-15(12(2)3)17(27)11-18(16)28/h6-12,27-28H,5H2,1-4H3,(H,24,30)(H,25,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged TRAP1 (60 to 704 residues) ATPase activity expressed in Escherichia coli BL21-CodonPlus-RIL af...				Bioorg Med Chem Lett 28: 2289-2293 (2018) Article DOI: 10.1016/j.bmcl.2018.05.031 BindingDB Entry DOI: 10.7270/Q2028V14
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50361703 (CHEMBL1941052) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(OC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C23H25N3O6/c1-5-24-23(30)20-19(25-22(29)13-6-8-14(31-4)9-7-13)21(32-26-20)16-10-15(12(2)3)17(27)11-18(16)28/h6-12,27-28H,5H2,1-4H3,(H,24,30)(H,25,29)	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	26	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
					More data for this Ligand-Target Pair