Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12D]' and Ligand = 'BDBM485666'   

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 [G12D] (Homo sapiens (Human))	BDBM485666 (US10940139, Example 02769 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1ccccc1Cl)-c1ccccn1 Show InChI InChI=1S/C22H17ClN4O3S/c23-15-6-2-1-5-13(15)17-11-27(9-10-30-17)22(29)14-12-31-19-18(14)25-20(26-21(19)28)16-7-3-4-8-24-16/h1-8,12,17H,9-11H2,(H,25,26,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shy Therapeutics LLC US Patent					Assay Description Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...				US Patent US10940139 (2021) BindingDB Entry DOI: 10.7270/Q2B27ZD1
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