Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase HRas' and Ligand = 'BDBM50060146'   

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
GTPase HRas (Homo sapiens (Human))	BDBM50060146 (CHEMBL407445 | [(S)-1-((4-Benzyloxy-benzyl)-{[(1-p...) Show SMILES O=C(CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)NCC1(CC1)c1ccccc1 Show InChI InChI=1S/C40H41N5O5/c46-37(42-28-40(20-21-40)33-14-8-3-9-15-33)25-45(24-30-16-18-35(19-17-30)49-26-31-10-4-1-5-11-31)38(47)36(22-34-23-41-29-43-34)44-39(48)50-27-32-12-6-2-7-13-32/h1-19,23,29,36H,20-22,24-28H2,(H,41,43)(H,42,46)(H,44,48)/t36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of the cultured colonies of H-Ras-Fcells .				J Med Chem 40: 3319-22 (1997) Article DOI: 10.1021/jm970470c BindingDB Entry DOI: 10.7270/Q2V69HQG
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