Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase HRas' and Ligand = 'BDBM50060148'   

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))	BDBM50060148 (CHEMBL325331 | [(S)-1-{(4-Benzyloxy-benzyl)-[(2-ph...) Show SMILES CCCC(CNC(=O)CN(Cc1ccc(OCc2ccccc2)cc1)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)c1ccccc1 Show InChI InChI=1S/C41H45N5O5/c1-2-12-35(34-17-10-5-11-18-34)24-43-39(47)27-46(26-31-19-21-37(22-20-31)50-28-32-13-6-3-7-14-32)40(48)38(23-36-25-42-30-44-36)45-41(49)51-29-33-15-8-4-9-16-33/h3-11,13-22,25,30,35,38H,2,12,23-24,26-29H2,1H3,(H,42,44)(H,43,47)(H,45,49)/t35?,38-/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	>1.00E+3	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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