Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50216999'   

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 (Bos taurus (bovine))	BDBM50216999 (CHEMBL3349357) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)[C@@H]1C[C@@H](CN1C\C=C\C(N)CS)Oc1cccc2ccccc12)C(O)=O Show InChI InChI=1S/C25H33N3O4S2/c1-34-13-11-21(25(30)31)27-24(29)22-14-19(15-28(22)12-5-8-18(26)16-33)32-23-10-4-7-17-6-2-3-9-20(17)23/h2-10,18-19,21-22,33H,11-16,26H2,1H3,(H,27,29)(H,30,31)/b8-5+/t18?,19-,21-,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration was evaluated against Farnesyltransferase in the farnesylation of H-ras protein				Bioorg Med Chem Lett 9: 2095-100 (1999) BindingDB Entry DOI: 10.7270/Q2Z038PQ
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