Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50082901'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50082901 (2-({5-[(2-Cyclohexyl-1-methyl-ethylamino)-methyl]-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(CN[C@H](C)CC2CCCCC2)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C29H40N2O3S/c1-20-9-7-8-12-24(20)26-18-23(19-30-21(2)17-22-10-5-4-6-11-22)13-14-25(26)28(32)31-27(29(33)34)15-16-35-3/h7-9,12-14,18,21-22,27,30H,4-6,10-11,15-17,19H2,1-3H3,(H,31,32)(H,33,34)/p-1/t21-,27+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity against Farnesyltransferase (FTase)				J Med Chem 42: 4844-52 (1999) BindingDB Entry DOI: 10.7270/Q2WW7GWR
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