Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50517178'   

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 (Homo sapiens (Human))	BDBM50517178 (CHEMBL4456127 | US11053226, Example 114) Show SMILES Fc1ccc2CN(CCc2c1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-20(13-32)29-24(33)15-31-14-22(21-10-18(27)4-6-23(21)31)26(35)30-8-7-16-9-19(28)5-3-17(16)11-30/h2-6,9-10,14,20H,1,7-8,11-13,15H2,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GDP bound N terminal His-tagged KRAS G12C/C118A mutant (unknown origin) (1 to 169 residues) assessed as reduction in SOS-mediated guani...				ACS Med Chem Lett 10: 1302-1308 (2019) Article DOI: 10.1021/acsmedchemlett.9b00258 BindingDB Entry DOI: 10.7270/Q2CN778Q
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50517178 (CHEMBL4456127 | US11053226, Example 114) Show SMILES Fc1ccc2CN(CCc2c1)C(=O)c1cn(CC(=O)NC2CN(C2)C(=O)C=C)c2ccc(Br)cc12 Show InChI InChI=1S/C26H24BrFN4O3/c1-2-25(34)32-12-20(13-32)29-24(33)15-31-14-22(21-10-18(27)4-6-23(21)31)26(35)30-8-7-16-9-19(28)5-3-17(16)11-30/h2-6,9-10,14,20H,1,7-8,11-13,15H2,(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of KRAS G12C mutant in human MIAPaCa2 cells assessed as reduction in EGF-induced ERK1/2 phosphorylation incubated for 4 hrs followed by EG...				ACS Med Chem Lett 10: 1302-1308 (2019) Article DOI: 10.1021/acsmedchemlett.9b00258 BindingDB Entry DOI: 10.7270/Q2CN778Q
					More data for this Ligand-Target Pair