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 = 'BDBM50135356'   

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))	BDBM50135356 (6-[(2'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...) Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1ccccc1Cl Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(21-7-8-22(15-38)26(13-21)25-5-3-4-6-28(25)34)44-18-30-27(14-23(16-39)32(43)42(30)2)20-9-11-24(12-10-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3	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	3.90	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))	BDBM50135356 (6-[(2'-Chloro-6-cyano-biphenyl-3-yl)-(3-methyl-3H-...) Show SMILES Cn1cncc1C(OCc1c(cc(C#N)c(=O)n1C)-c1ccc(OC(F)(F)F)cc1)c1ccc(C#N)c(c1)-c1ccccc1Cl Show InChI InChI=1S/C33H23ClF3N5O3/c1-41-19-40-17-29(41)31(21-7-8-22(15-38)26(13-21)25-5-3-4-6-28(25)34)44-18-30-27(14-23(16-39)32(43)42(30)2)20-9-11-24(12-10-20)45-33(35,36)37/h3-14,17,19,31H,18H2,1-2H3	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	>100	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