Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12D]' and Ligand = 'BDBM573341'   

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))	BDBM573341 (US11453683, Example 68 | US20230279025, Example 68) Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573341 (US11453683, Example 68 | US20230279025, Example 68) Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573341 (US11453683, Example 68 | US20230279025, Example 68) Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573341 (US11453683, Example 68 | US20230279025, Example 68) Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573341 (US11453683, Example 68 | US20230279025, Example 68) Show SMILES COCCCOc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 1: Briefly, 1 L of 1.05× HBS-Mg buffer (262.5 mM Bioultra Hepes, pH 7.5, 157.5 mM NaCl, 105 mM MgCl2, 0.525 mM TCEP, 0.0305% Brij-35) was prepa...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair