BindingDB logo
myBDB logout

BDBM50013707 CHEMBL3264539

SMILES: O[C@H]1CC[C@@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1

InChI Key: InChIKey=SCHLEUBXQXMSCR-AWTKFZDXSA-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 = 50013707   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Heat shock protein HSP 90-beta


(Homo sapiens (Human))		BDBM50013707
PNG
(CHEMBL3264539)
Show SMILES O[C@H]1CC[C@@H](CC1)C(=O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r,wU:4.7,wD:21.24,10.10,1.0,(67.59,-55.41,;66.26,-54.64,;66.25,-53.09,;64.92,-52.32,;63.6,-53.09,;63.59,-54.63,;64.92,-55.41,;62.27,-52.32,;60.93,-53.09,;62.27,-50.78,;60.94,-50.01,;59.59,-50.78,;58.25,-50,;56.92,-50.77,;56.92,-52.31,;55.59,-50,;55.59,-48.45,;54.26,-47.68,;56.92,-47.68,;58.26,-48.45,;59.6,-47.67,;60.94,-48.45,;62.28,-47.68,;63.61,-48.47,;64.94,-47.7,;64.95,-46.16,;66.28,-45.39,;63.61,-45.39,;63.6,-43.85,;62.28,-46.16,)|
Show InChI InChI=1S/C22H24O8/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h3,6-9,11,13,20-21,23-27H,1-2,4-5,10H2/t11-,13-,20-,21-/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/an/a 4.40E+5n/an/an/an/an/an/a



Montclair State University

Curated by ChEMBL


Assay Description
Inhibition of HSP90 (unknown origin) by luciferase refolding assay

Bioorg Med Chem Lett 24: 2263-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.088
BindingDB Entry DOI: 10.7270/Q2RF5WK6
More data for this
Ligand-Target Pair