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 = 'BDBM50080744'   

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 (Bos taurus (bovine))	BDBM50080744 ((S)-2-({5-[(Benzyl-pyrazin-2-yl-amino)-methyl]-2'-...) Show SMILES CSCC[C@H](NC(=O)c1ccc(CN(Cc2ccccc2)c2cnccn2)cc1-c1ccccc1C)C(O)=O Show InChI InChI=1S/C31H32N4O3S/c1-22-8-6-7-11-25(22)27-18-24(12-13-26(27)30(36)34-28(31(37)38)14-17-39-2)21-35(29-19-32-15-16-33-29)20-23-9-4-3-5-10-23/h3-13,15-16,18-19,28H,14,17,20-21H2,1-2H3,(H,34,36)(H,37,38)/t28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of farnesyltransferase purified from bovine brain using scintillation proximity assay				J Med Chem 42: 3701-10 (1999) Article DOI: 10.1021/jm9901935 BindingDB Entry DOI: 10.7270/Q2W958DC
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