BDBM50361705 CHEMBL1941054

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

InChI Key: InChIKey=DUZQFEYYCHLFMU-UHFFFAOYSA-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 = 50361705   

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))	BDBM50361705 (CHEMBL1941054) Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N(C)C)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C24H28N4O5/c1-6-25-24(32)21-20(26-23(31)14-7-9-15(10-8-14)28(4)5)22(33-27-21)17-11-16(13(2)3)18(29)12-19(17)30/h7-13,29-30H,6H2,1-5H3,(H,25,32)(H,26,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	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