BDBM50067840 3-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-3a,6,9-trimethyl-7-oxo-dodecahydro-cyclopenta[a]naphthalen-6-yl]-propionic acid methyl ester::CHEMBL435821

SMILES: COC(=O)CC[C@]1(C)C2CC[C@]3(C)C(CCC3C2[C@@H](C)CC1=O)C(C)CCCC(C)C

InChI Key: InChIKey=XFCVTFKDDBKWIC-OXKISYSDSA-N

Data: 1 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 1 hit for monomerid = 50067840   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50067840 (3-[(3aR,6R,9S)-3-(1,5-Dimethyl-hexyl)-3a,6,9-trime...) Show SMILES COC(=O)CC[C@]1(C)C2CC[C@]3(C)C(CCC3C2[C@@H](C)CC1=O)C(C)CCCC(C)C Show InChI InChI=1S/C28H48O3/c1-18(2)9-8-10-19(3)21-11-12-22-26-20(4)17-24(29)28(6,16-14-25(30)31-7)23(26)13-15-27(21,22)5/h18-23,26H,8-17H2,1-7H3/t19?,20-,21?,22?,23?,26?,27+,28+/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 PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/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
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