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SMILES: CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccccc1C)C(O)=O

InChI Key: InChIKey=VBWSBMOTOPMPHQ-FPGQLPORSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50075841   
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 subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50075841
PNG
((S)-2-[(5-{2-[4-(Adamantane-1-carbonyl)-pyridin-3-...)
Show SMILES CSCC[C@H](NC(=O)c1ccc(\C=C\c2cnccc2C(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccccc1C)C(O)=O |TLB:25:26:30:23.24.29,THB:25:24:30:31.26.27|
Show InChI InChI=1S/C37H40N2O4S/c1-23-5-3-4-6-29(23)32-18-24(8-10-31(32)35(41)39-33(36(42)43)12-14-44-2)7-9-28-22-38-13-11-30(28)34(40)37-19-25-15-26(20-37)17-27(16-25)21-37/h3-11,13,18,22,25-27,33H,12,14-17,19-21H2,1-2H3,(H,39,41)(H,42,43)/b9-7+/t25-,26+,27-,33-,37-/m0/s1
PDB
MMDB

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Similars

PubMed
n/an/a 0.120n/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