BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat Shock Protein 90 (Hsp90)' and Ligand = 'BDBM50097903'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Heat Shock Protein 90 (Hsp90)


(Homo sapiens (Human))
BDBM50097903
PNG
(CHEMBL3589958)
Show SMILES CC(C)(CC(F)(F)F)NC(=O)N1Cc2nc(N)nc(c2C1)-c1c(Cl)cc(Cl)cc1OCCn1cc(F)cn1 |(5.89,.33,;6.49,1.4,;7.12,.35,;7.24,2.75,;8.78,2.77,;9.39,3.84,;10.02,2.79,;9.41,1.71,;4.95,1.38,;4.2,.04,;4.83,-1.02,;2.66,.02,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;-1.02,-3.09,;.31,-3.87,;1.37,-3.26,;.3,-5.41,;-1.04,-6.17,;-1.04,-7.41,;-2.37,-5.4,;-2.36,-3.86,;-3.69,-3.09,;-5.03,-3.85,;-6.36,-3.08,;-7.7,-3.85,;-9.09,-3.21,;-10.12,-4.35,;-11.34,-4.22,;-9.35,-5.69,;-7.84,-5.37,)|
Show InChI InChI=1S/C23H23Cl2F4N7O2/c1-22(2,11-23(27,28)29)34-21(37)35-9-14-16(10-35)32-20(30)33-19(14)18-15(25)5-12(24)6-17(18)38-4-3-36-8-13(26)7-31-36/h5-8H,3-4,9-11H2,1-2H3,(H,34,37)(H2,30,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Pharmacokinetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HSP90 by scintillation proximity competition binding assay


J Med Chem 58: 5691-8 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00201
More data for this
Ligand-Target Pair