Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50135377'   

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 (Homo sapiens (Human))	BDBM50135377 (6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...) Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(19-5-3-17(12-31)4-6-19)37-15-24-22(11-20(13-32)26(36)35(24)2)18-7-9-21(10-8-18)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.730	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 (FT)				Bioorg Med Chem Lett 13: 4001-5 (2003) BindingDB Entry DOI: 10.7270/Q2H41QVX
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50135377 (6-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-me...) Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C27H20F3N5O3/c1-34-16-33-14-23(34)25(19-5-3-17(12-31)4-6-19)37-15-24-22(11-20(13-32)26(36)35(24)2)18-7-9-21(10-8-18)38-27(28,29)30/h3-11,14,16,25H,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.90	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro effective concentration of the compound against farnesyltransferase (FT)				Bioorg Med Chem Lett 13: 4001-5 (2003) BindingDB Entry DOI: 10.7270/Q2H41QVX
					More data for this Ligand-Target Pair