BindingDB logo
myBDB logout

BDBM50436223 CHEMBL2398698

SMILES: FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1

InChI Key: InChIKey=PIADYIGFSLLCTB-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 = 50436223   
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
Transforming protein RhoA


(Homo sapiens (Human))
BDBM50436223
PNG
(CHEMBL2398698)
Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCCC(C1)C(=O)Nc1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C28H24F6N2O2/c29-27(30,31)22-14-21(15-23(16-22)28(32,33)34)26(38)36-11-5-9-20(17-36)25(37)35-24-10-4-8-19(13-24)12-18-6-2-1-3-7-18/h1-4,6-8,10,13-16,20H,5,9,11-12,17H2,(H,35,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of RhoC-mediated pathway in human PC3 cells assessed as inhibition of SRE-regulated gene transcription by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3826-32 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.080
BindingDB Entry DOI: 10.7270/Q28P61XS
More data for this
Ligand-Target Pair