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BDBM50075838 (S)-2-{[5-((Z)-1-Cyano-2-pyridin-3-yl-vinyl)-2'-methyl-biphenyl-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid::CHEMBL159324

SMILES: CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C#N)C(O)=O

InChI Key: InChIKey=LMGSQMQVUYDBRD-DPUDNOKTSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075838   
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))
BDBM50075838
PNG
((S)-2-{[5-((Z)-1-Cyano-2-pyridin-3-yl-vinyl)-2'-me...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(cc1-c1ccccc1C)C(=C\c1cccnc1)\C#N)C(O)=O
Show InChI InChI=1S/C27H25N3O3S/c1-18-6-3-4-8-22(18)24-15-20(21(16-28)14-19-7-5-12-29-17-19)9-10-23(24)26(31)30-25(27(32)33)11-13-34-2/h3-10,12,14-15,17,25H,11,13H2,1-2H3,(H,30,31)(H,32,33)/b21-14+/t25-/m0/s1
PDB
MMDB

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PC cid
PC sid
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PubMed
n/an/a 0.590n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against farnesyltransferase (FT) using SPA assay


Bioorg Med Chem Lett 9: 703-8 (1999)


BindingDB Entry DOI: 10.7270/Q2G73CWQ
More data for this
Ligand-Target Pair