Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [1-37]' and Ligand = 'BDBM54708'   

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 KRas [1-37] (Homo sapiens (Human))	BDBM54708 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-8-2-16(3-9-19)22-27-20(33-28-22)10-11-21(31)30-14-12-29(13-15-30)18-6-4-17(5-7-18)23(24,25)26/h2-9H,10-15H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2C53J83
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54708 (3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C23H23F3N4O3/c1-32-19-8-2-16(3-9-19)22-27-20(33-28-22)10-11-21(31)30-14-12-29(13-15-30)18-6-4-17(5-7-18)23(24,25)26/h2-9H,10-15H2,1H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2JQ0ZF7
					More data for this Ligand-Target Pair