Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [1-37]' and Ligand = 'BDBM54691'   

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))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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/Q2D21W1M
					More data for this Ligand-Target Pair
GTPase KRas [1-37] (Homo sapiens (Human))	BDBM54691 (2-amino-5-benzoyl-1-(2,4,6-triisopropylphenyl)sulf...) Show SMILES COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)n(c1C(=O)c1ccccc1)S(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C Show InChI InChI=1S/C36H41N3O6S/c1-20(2)24-15-26(21(3)4)35(27(16-24)22(5)6)46(41,42)39-32(33(40)23-13-11-10-12-14-23)31(28(19-37)36(39)38)25-17-29(43-7)34(45-9)30(18-25)44-8/h10-18,20-22H,38H2,1-9H3	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/Q23N21VG
					More data for this Ligand-Target Pair