BindingDB logo
myBDB logout

BDBM50283736 (S)-2-[5-((R)-2-Amino-3-mercapto-propionylamino)-2-(4-fluoro-benzyl)-pentanoylamino]-4-methylsulfanyl-butyric acid::CHEMBL96413

SMILES: CSCC[C@H](NC(=O)C(CCCNC(=O)[C@@H](N)CS)Cc1ccc(F)cc1)C(O)=O

InChI Key: InChIKey=QMBOMETUAPMBFM-HGVHAKBWSA-N

Data: 2 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 2 hits for monomerid = 50283736   
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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50283736
PNG
((S)-2-[5-((R)-2-Amino-3-mercapto-propionylamino)-2...)
Show SMILES CSCC[C@H](NC(=O)C(CCCNC(=O)[C@@H](N)CS)Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H30FN3O4S2/c1-30-10-8-17(20(27)28)24-18(25)14(11-13-4-6-15(21)7-5-13)3-2-9-23-19(26)16(22)12-29/h4-7,14,16-17,29H,2-3,8-12,22H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t14?,16-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against geranylgeranyl transferase


Bioorg Med Chem Lett 4: 2775-2780 (1994)


Article DOI: 10.1016/S0960-894X(01)80593-X
BindingDB Entry DOI: 10.7270/Q21J99Q0
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM50283736
PNG
((S)-2-[5-((R)-2-Amino-3-mercapto-propionylamino)-2...)
Show SMILES CSCC[C@H](NC(=O)C(CCCNC(=O)[C@@H](N)CS)Cc1ccc(F)cc1)C(O)=O
Show InChI InChI=1S/C20H30FN3O4S2/c1-30-10-8-17(20(27)28)24-18(25)14(11-13-4-6-15(21)7-5-13)3-2-9-23-19(26)16(22)12-29/h4-7,14,16-17,29H,2-3,8-12,22H2,1H3,(H,23,26)(H,24,25)(H,27,28)/t14?,16-,17-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase


Bioorg Med Chem Lett 4: 2775-2780 (1994)


Article DOI: 10.1016/S0960-894X(01)80593-X
BindingDB Entry DOI: 10.7270/Q21J99Q0
More data for this
Ligand-Target Pair