BindingDB logo
myBDB logout

null

SMILES: CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1

InChI Key: InChIKey=WVEDSMDFFPPHHH-UHFFFAOYSA-N

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 = 50386004   
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))		BDBM50386004
PNG
(CHEMBL2042894)
Show SMILES CN(C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O)c1ccco1
Show InChI InChI=1S/C20H17N3O3/c1-23(19-8-5-9-26-19)20(25)15-11-14-16(10-13-6-3-2-4-7-13)21-22-17(14)12-18(15)24/h2-9,11-12,24H,10H2,1H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Merck Serono Research

Curated by ChEMBL


Assay Description
Displacement of [3H]17AAG from human recombinant Hsp90 after 30 mins by beta scintillation counting

Bioorg Med Chem Lett 22: 4396-403 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.121
BindingDB Entry DOI: 10.7270/Q2T154QC
More data for this
Ligand-Target Pair