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BDBM50079803 (S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl-6-mercapto-hex-3-enoyl)-4-phenoxy-pyrrolidine-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid with di( TFA)::CHEMBL305536

SMILES: CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O

InChI Key: InChIKey=XGFQAKQIQDYMMY-GTQJKTJRSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50079803   
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 (GGTase-I)


(Bos taurus (bovine))
BDBM50079803
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N3O5S2/c1-16(2)20(10-9-17(26)15-34)24(30)28-14-19(33-18-7-5-4-6-8-18)13-22(28)23(29)27-21(25(31)32)11-12-35-3/h4-10,16-17,19-22,34H,11-15,26H2,1-3H3,(H,27,29)(H,31,32)/b10-9+/t17-,19+,20-,21+,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 11n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Geranylgeranyl transferase in the geranylgeranylation of H-ras-CAIL protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair
Protein Farnesyltransferase (PFT)


(Bos taurus (bovine))
BDBM50079803
PNG
((S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl...)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C(=O)[C@H](\C=C\[C@@H](N)CS)C(C)C)Oc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H37N3O5S2/c1-16(2)20(10-9-17(26)15-34)24(30)28-14-19(33-18-7-5-4-6-8-18)13-22(28)23(29)27-21(25(31)32)11-12-35-3/h4-10,16-17,19-22,34H,11-15,26H2,1-3H3,(H,27,29)(H,31,32)/b10-9+/t17-,19+,20-,21+,22+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 18n/an/an/an/an/an/a



Eisai Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein


Bioorg Med Chem Lett 9: 2095-100 (1999)


BindingDB Entry DOI: 10.7270/Q2Z038PQ
More data for this
Ligand-Target Pair