BindingDB logo
myBDB logout

null

SMILES: COc1cc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)ccc1Cl

InChI Key: InChIKey=JDMGGQKKVLOEAB-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 = 50386024   
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))		BDBM50386024
PNG
(CHEMBL2042863)
Show SMILES COc1cc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)ccc1Cl
Show InChI InChI=1S/C24H22ClN3O3/c1-28(14-16-8-9-19(25)23(11-16)31-2)24(30)18-12-17-20(10-15-6-4-3-5-7-15)26-27-21(17)13-22(18)29/h3-9,11-13,29H,10,14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.30E+3n/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