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 = 'BDBM50076807'   

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))	BDBM50076807 (CHEMBL273721 | Lithium; (S)-2-({5-[5-(3-methoxy-ph...) Show SMILES COc1cccc(c1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1 Show InChI InChI=1S/C32H33NO6S/c1-21-7-4-5-10-26(21)28-17-22(11-13-27(28)31(34)33-29(32(35)36)15-16-40-3)19-38-20-25-12-14-30(39-25)23-8-6-9-24(18-23)37-2/h4-14,17-18,29H,15-16,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/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	12	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))	BDBM50076807 (CHEMBL273721 | Lithium; (S)-2-({5-[5-(3-methoxy-ph...) Show SMILES COc1cccc(c1)-c1ccc(COCc2ccc(C(=O)N[C@@H](CCSC)C([O-])=O)c(c2)-c2ccccc2C)o1 Show InChI InChI=1S/C32H33NO6S/c1-21-7-4-5-10-26(21)28-17-22(11-13-27(28)31(34)33-29(32(35)36)15-16-40-3)19-38-20-25-12-14-30(39-25)23-8-6-9-24(18-23)37-2/h4-14,17-18,29H,15-16,19-20H2,1-3H3,(H,33,34)(H,35,36)/p-1/t29-/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