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 = 'BDBM50492065'   

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))	BDBM50492065 (CHEMBL2396762) Show SMILES CSCC[C@H](NC(=O)c1ccc(NC[C@H](CS)NC(=O)CCCCCNC(=O)c2cc(OCCC(CN)CN)c(OCCC(CN)CN)c(OCCC(CN)CN)c2)cc1)C(O)=O |r| Show InChI InChI=1S/C43H74N10O8S2/c1-63-18-13-36(43(57)58)53-42(56)32-6-8-34(9-7-32)51-27-35(28-62)52-39(54)5-3-2-4-14-50-41(55)33-19-37(59-15-10-29(21-44)22-45)40(61-17-12-31(25-48)26-49)38(20-33)60-16-11-30(23-46)24-47/h6-9,19-20,29-31,35-36,51,62H,2-5,10-18,21-28,44-49H2,1H3,(H,50,55)(H,52,54)(H,53,56)(H,57,58)/t35-,36+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	837	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Osaka University Curated by ChEMBL					Assay Description Inhibition of recombinant FTase (unknown origin)-mediated K-Ras4B model peptide KKKKKKSK(Dans)TKCVIM farnesylation by fluorescence plate reader analy...				Bioorg Med Chem 21: 4004-10 (2013) Article DOI: 10.1016/j.bmc.2012.09.061 BindingDB Entry DOI: 10.7270/Q2ZS30GN
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