BindingDB logo
myBDB logout

BDBM50076813 CHEMBL10687::Lithium; (S)-2-({5-[5-(2-methoxy-phenyl)-furan-2-ylmethoxymethyl]-2'-methyl-biphenyl-2-carbonyl}-amino)-4-methylsulfanyl-butyrate

SMILES: COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1

InChI Key: InChIKey=ODRIJWKMQUKGQK-NDEPHWFRSA-M

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50076813   
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)


(Homo sapiens (Human))
BDBM50076813
PNG
(CHEMBL10687 | Lithium; (S)-2-({5-[5-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-8-4-5-9-24(21)27-18-22(12-14-25(27)31(34)33-28(32(35)36)16-17-40-3)19-38-20-23-13-15-30(39-23)26-10-6-7-11-29(26)37-2/h4-15,18,28H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

PubMed
n/an/an/an/a>1n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50076813
PNG
(CHEMBL10687 | Lithium; (S)-2-({5-[5-(2-methoxy-phe...)
Show SMILES COc1ccccc1-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1
Show InChI InChI=1S/C32H33NO6S/c1-21-8-4-5-9-24(21)27-18-22(12-14-25(27)31(34)33-28(32(35)36)16-17-40-3)19-38-20-23-13-15-30(39-23)26-10-6-7-11-29(26)37-2/h4-15,18,28H,16-17,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t28-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Patents


Similars

PubMed
n/an/a 20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)


Bioorg Med Chem Lett 9: 1069-74 (1999)


BindingDB Entry DOI: 10.7270/Q2X34WNT
More data for this
Ligand-Target Pair