BDBM50062251 CHEMBL285263::trisodium 5-[2-benzo[d][1,3]dioxol-5-yl-5-benzo[d][1,3]oxazol-2-yl-1-methyl-(1S,2R,4E)-4-pentenyl(2-naphthylmethyl)carbamoyl]-(4R,5R)-1,3-dioxolane-2,2,4-tricarboxylate

SMILES: C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O

InChI Key: InChIKey=CXDSZFRIMJUZKT-GZHAQUORSA-K

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 = 50062251   

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)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062251 (CHEMBL285263 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
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