Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50586341'   

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))	BDBM50586341 (CHEMBL5077647) Show SMILES C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KRAS G12C mutant (2 to 188 residues) (unknown origin) expressed in Escherichia coli assessed as inhibition of SOS mediated nucleotide e...				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50586341 (CHEMBL5077647) Show SMILES C[C@@H]1Cc2c(C[C@H]1c1c(F)c(N)cc(C)c1C(F)(F)F)nc(OC[C@@H]1CCCN1C)nc2N1CCN(C[C@@H]1C)C(=O)C=C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.30	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KRAS G12C mutant in human HCC1171 cells assessed as effect on cell alkylation measured after 18 hrs by western blot analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00152 BindingDB Entry DOI: 10.7270/Q23R0XR5
					More data for this Ligand-Target Pair