Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50579989'   

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))	BDBM50579989 (CHEMBL5080777) Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00643 BindingDB Entry DOI: 10.7270/Q2X3529S
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579989 (CHEMBL5080777) Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc(CC(C)(C)O)cc1)-c1c(Cl)c(C)cc2[nH]ncc12 |(8.18,-31.59,;9.64,-31.11,;10.89,-32.01,;12.14,-31.1,;11.65,-29.64,;10.11,-29.64,;9.21,-28.4,;9.45,-26.87,;7.93,-26.63,;7.69,-28.16,;8.32,-25.14,;6.83,-24.74,;6.43,-26.24,;6.06,-23.41,;6.82,-22.08,;4.52,-23.42,;3.74,-22.08,;13.6,-31.57,;14.73,-30.54,;16.2,-31,;16.53,-32.51,;18,-32.98,;18.33,-34.49,;19.79,-34.95,;17.19,-35.52,;18.72,-35.97,;15.39,-33.55,;13.92,-33.08,;10.91,-33.55,;9.58,-34.32,;8.25,-33.55,;9.58,-35.87,;8.24,-36.63,;10.91,-36.64,;12.24,-35.86,;13.71,-36.33,;14.62,-35.09,;13.71,-33.84,;12.24,-34.31,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human KRAS G12C mutant incubated for 2 hrs by scintillation counter based covalent competition assay				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00643 BindingDB Entry DOI: 10.7270/Q2X3529S
					More data for this Ligand-Target Pair