BDBM50361689 CHEMBL1940932

SMILES: CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](N)CC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=TZYANCKBMDGFOB-JOCQHMNTSA-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 = 50361689   

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))	BDBM50361689 (CHEMBL1940932) Show SMILES CCNC(=O)c1noc(c1NC(=O)[C@H]1CC[C@H](N)CC1)-c1cc(C(C)C)c(O)cc1O |r,wU:16.17,wD:13.13,(40.21,-31.37,;38.67,-31.36,;37.9,-30.02,;36.36,-30.02,;35.7,-28.63,;35.49,-31.29,;36.01,-32.74,;34.79,-33.68,;33.52,-32.8,;33.95,-31.33,;33.01,-30.11,;31.48,-30.08,;30.68,-31.4,;30.73,-28.73,;31.53,-27.42,;30.8,-26.07,;29.26,-26.03,;28.52,-24.67,;28.45,-27.34,;29.19,-28.7,;32.19,-33.58,;30.85,-32.81,;29.52,-33.58,;28.19,-32.81,;28.19,-31.27,;26.85,-33.59,;29.52,-35.13,;28.19,-35.9,;30.85,-35.9,;32.19,-35.13,;33.53,-35.9,)| Show InChI InChI=1S/C22H30N4O5/c1-4-24-22(30)19-18(25-21(29)12-5-7-13(23)8-6-12)20(31-26-19)15-9-14(11(2)3)16(27)10-17(15)28/h9-13,27-28H,4-8,23H2,1-3H3,(H,24,30)(H,25,29)/t12-,13-	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	28	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