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 = 'BDBM50076810'   

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))	BDBM50076810 (CHEMBL428001 | Lithium; (S)-4-methylsulfanyl-2-({2...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C32H30F3NO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(37)36-28(31(38)39)15-16-42-2)18-40-19-24-12-14-29(41-24)22-8-10-23(11-9-22)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity of the compound was evaluated against farnesyltransferase (FTase)				Bioorg Med Chem Lett 9: 1069-74 (1999) BindingDB Entry DOI: 10.7270/Q2X34WNT
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50076810 (CHEMBL428001 | Lithium; (S)-4-methylsulfanyl-2-({2...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(F)(F)F)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C32H30F3NO5S/c1-20-5-3-4-6-25(20)27-17-21(7-13-26(27)30(37)36-28(31(38)39)15-16-42-2)18-40-19-24-12-14-29(41-24)22-8-10-23(11-9-22)32(33,34)35/h3-14,17,28H,15-16,18-19H2,1-2H3,(H,36,37)(H,38,39)/p-1/t28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description EC50 is measured as inhibition of ras processing in a whole cell assay for farnesyltransferase (FTase)				Bioorg Med Chem Lett 9: 1069-74 (1999) BindingDB Entry DOI: 10.7270/Q2X34WNT
					More data for this Ligand-Target Pair