Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12D,Q61H]' and Ligand = 'BDBM485664'   

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,Q61H] (Homo sapiens (Human))	BDBM485664 (US10940139, Example 02761 | US11000515, Compound T...) Show SMILES CC1CN(CCN1C(=O)c1csc2c(O)nc(nc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)	PDB UniProtKB/SwissProt 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 US11000515 (2021) BindingDB Entry DOI: 10.7270/Q2V98C6R
					More data for this Ligand-Target Pair
GTPase KRas [G12D,Q61H] (Homo sapiens (Human))	BDBM485664 (US10940139, Example 02761 | US11000515, Compound T...) Show SMILES CC1CN(CCN1C(=O)c1csc2c(O)nc(nc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)	PDB UniProtKB/SwissProt 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
TBA					Assay Description The following method was developed as specific assay for KRas G12D mutant protein.Buffer-I:50 mM Tris, pH 7.5150 mM NaCl (optional)1 mM MgCl21 mM DTT...				Citation and Details BindingDB Entry DOI: 10.7270/Q2FB56SS
					More data for this Ligand-Target Pair
GTPase KRas [G12D,Q61H] (Homo sapiens (Human))	BDBM485664 (US10940139, Example 02761 | US11000515, Compound T...) Show SMILES CC1CN(CCN1C(=O)c1csc2c(O)nc(nc12)-c1ccccn1)c1ccccc1 Show InChI InChI=1S/C23H21N5O2S/c1-15-13-27(16-7-3-2-4-8-16)11-12-28(15)23(30)17-14-31-20-19(17)25-21(26-22(20)29)18-9-5-6-10-24-18/h2-10,14-15H,11-13H2,1H3,(H,25,26,29)	PDB UniProtKB/SwissProt 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
TBA					Assay Description The following method was developed as specific assay for KRas G12D mutant protein.Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) ...				Citation and Details BindingDB Entry DOI: 10.7270/Q20G3PBB
					More data for this Ligand-Target Pair