new BindingDB logo
myBDB logout

BDBM50361717 CHEMBL1941066

SMILES: CCNC(=O)c1noc(c1NC(=O)c1sc(nc1C)-c1ccncc1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=SLSONMHBOHPNMK-UHFFFAOYSA-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 = 50361717   
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
HSP90 and hnRNPA2/B1


(Homo sapiens (Human))
BDBM50361717
PNG
(CHEMBL1941066)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1sc(nc1C)-c1ccncc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C25H25N5O5S/c1-5-27-23(33)20-19(21(35-30-20)16-10-15(12(2)3)17(31)11-18(16)32)29-24(34)22-13(4)28-25(36-22)14-6-8-26-9-7-14/h6-12,31-32H,5H2,1-4H3,(H,27,33)(H,29,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 27n/an/an/an/an/an/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