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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein HSP 90-alpha' and Ligand = 'BDBM265431'   
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 HSP 90-alpha


(Homo sapiens (Human))
BDBM265431
PNG
(US10413550, Example 78ag | US9718793, 78ag)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CNCC(=O)N(C)C)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H32N4O5/c1-6-28-26(34)24-23(17-9-7-16(8-10-17)13-27-14-22(33)30(4)5)25(35-29-24)19-11-18(15(2)3)20(31)12-21(19)32/h7-12,15,27,31-32H,6,13-14H2,1-5H3,(H,28,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

US Patent


Assay Description
Chemicals are of the highest purity commercially available and all aqueous solutions are made up in AR water. Because of the need to minimise contami...


US Patent US9718793 (2017)


Article DOI: 10.1021/jm050746d
BindingDB Entry DOI: 10.7270/Q2SQ92DM
More data for this
Ligand-Target Pair