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 = 'BDBM50076795'   

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))	BDBM50076795 (CHEMBL11210 | Lithium; (S)-2-({5-[5-(4-dimethylami...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)N(C)C)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C33H36N2O5S/c1-22-7-5-6-8-27(22)29-19-23(9-15-28(29)32(36)34-30(33(37)38)17-18-41-4)20-39-21-26-14-16-31(40-26)24-10-12-25(13-11-24)35(2)3/h5-16,19,30H,17-18,20-21H2,1-4H3,(H,34,36)(H,37,38)/p-1/t30-/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	2.60	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))	BDBM50076795 (CHEMBL11210 | Lithium; (S)-2-({5-[5-(4-dimethylami...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)N(C)C)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C33H36N2O5S/c1-22-7-5-6-8-27(22)29-19-23(9-15-28(29)32(36)34-30(33(37)38)17-18-41-4)20-39-21-26-14-16-31(40-26)24-10-12-25(13-11-24)35(2)3/h5-16,19,30H,17-18,20-21H2,1-4H3,(H,34,36)(H,37,38)/p-1/t30-/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	0.900	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