BindingDB logo
myBDB logout

BDBM50082906 2-[(5-{[Acetyl-(2-cyclohexyl-ethyl)-amino]-methyl}-2'-methyl-biphenyl-2-carbonyl)-amino]-4-methylsulfanyl-lithium-butarate::CHEMBL177445

SMILES: CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(C)=O)cc1-c1ccccc1C)C([O-])=O

InChI Key: InChIKey=CHDWTRUYQSFVEW-NDEPHWFRSA-M

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 = 50082906   
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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50082906
PNG
(2-[(5-{[Acetyl-(2-cyclohexyl-ethyl)-amino]-methyl}...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(CCC2CCCCC2)C(C)=O)cc1-c1ccccc1C)C([O-])=O
Show InChI InChI=1S/C30H40N2O4S/c1-21-9-7-8-12-25(21)27-19-24(20-32(22(2)33)17-15-23-10-5-4-6-11-23)13-14-26(27)29(34)31-28(30(35)36)16-18-37-3/h7-9,12-14,19,23,28H,4-6,10-11,15-18,20H2,1-3H3,(H,31,34)(H,35,36)/p-1/t28-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.90n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase (FTase)


J Med Chem 42: 4844-52 (1999)


BindingDB Entry DOI: 10.7270/Q2WW7GWR
More data for this
Ligand-Target Pair