Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [1-37]' and Ligand = 'BDBM54584'   

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))	BDBM54584 (1-[4-(2,5-dimethylphenyl)-1-piperidinyl]-3-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-17-4-5-18(2)22(16-17)19-12-14-28(15-13-19)24(29)11-10-23-26-25(27-31-23)20-6-8-21(30-3)9-7-20/h4-9,16,19H,10-15H2,1-3H3	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))	BDBM54584 (1-[4-(2,5-dimethylphenyl)-1-piperidinyl]-3-[3-(4-m...) Show SMILES COc1ccc(cc1)-c1noc(CCC(=O)N2CCC(CC2)c2cc(C)ccc2C)n1 Show InChI InChI=1S/C25H29N3O3/c1-17-4-5-18(2)22(16-17)19-12-14-28(15-13-19)24(29)11-10-23-26-25(27-31-23)20-6-8-21(30-3)9-7-20/h4-9,16,19H,10-15H2,1-3H3	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