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 = 'BDBM50076800'   

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))	BDBM50076800 (CHEMBL430307 | Lithium; (S)-2-({5-[5-(4-acetyl-phe...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)=O)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C33H33NO6S/c1-21-6-4-5-7-27(21)29-18-23(8-14-28(29)32(36)34-30(33(37)38)16-17-41-3)19-39-20-26-13-15-31(40-26)25-11-9-24(10-12-25)22(2)35/h4-15,18,30H,16-17,19-20H2,1-3H3,(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	6.60	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))	BDBM50076800 (CHEMBL430307 | Lithium; (S)-2-({5-[5-(4-acetyl-phe...) Show SMILES CSCC[C@H](NC(=O)c1ccc(COCc2ccc(o2)-c2ccc(cc2)C(C)=O)cc1-c1ccccc1C)C([O-])=O Show InChI InChI=1S/C33H33NO6S/c1-21-6-4-5-7-27(21)29-18-23(8-14-28(29)32(36)34-30(33(37)38)16-17-41-3)19-39-20-26-13-15-31(40-26)25-11-9-24(10-12-25)22(2)35/h4-15,18,30H,16-17,19-20H2,1-3H3,(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	>1	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