BindingDB logo
myBDB logout

null

SMILES: CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCNCC1)-c1cc(C(C)C)c(O)cc1O

InChI Key: InChIKey=FJSRCZVWKFIJME-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 = 50361708   
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))		BDBM50361708
PNG
(CHEMBL1941057)
Show SMILES CCNC(=O)c1noc(c1NC(=O)c1ccc(cc1)N1CCNCC1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H31N5O5/c1-4-28-26(35)23-22(24(36-30-23)19-13-18(15(2)3)20(32)14-21(19)33)29-25(34)16-5-7-17(8-6-16)31-11-9-27-10-12-31/h5-8,13-15,27,32-33H,4,9-12H2,1-3H3,(H,28,35)(H,29,34)
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 32n/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