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BDBM50067825 3-[(R)-3-(1,5-Dimethyl-hexyl)-3a-methyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-6-yl]-propionic acid::CHEMBL334930

SMILES: CC(C)CCCC(C)C1CCC2C3CCC(=O)C(CCC(O)=O)C3CC[C@]12C

InChI Key: InChIKey=NHMHIJGSSVRXTO-QLKOWSNDSA-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 = 50067825   
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))
BDBM50067825
PNG
(3-[(R)-3-(1,5-Dimethyl-hexyl)-3a-methyl-7-oxo-dode...)
Show SMILES CC(C)CCCC(C)C1CCC2C3CCC(=O)C(CCC(O)=O)C3CC[C@]12C
Show InChI InChI=1S/C25H42O3/c1-16(2)6-5-7-17(3)21-10-11-22-19-8-12-23(26)20(9-13-24(27)28)18(19)14-15-25(21,22)4/h16-22H,5-15H2,1-4H3,(H,27,28)/t17?,18?,19?,20?,21?,22?,25-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human Farnesyltransferase


J Med Chem 41: 4492-501 (1998)


Article DOI: 10.1021/jm980356+
BindingDB Entry DOI: 10.7270/Q23779DQ
More data for this
Ligand-Target Pair