Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas [G12C]' and Ligand = 'BDBM50579987'   

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 [G12C] (Homo sapiens (Human))	BDBM50579987 (CHEMBL5083497 | US11702409, Example 18b) Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20V8HXK
					More data for this Ligand-Target Pair
GTPase KRas [G12C] (Homo sapiens (Human))	BDBM50579987 (CHEMBL5083497 | US11702409, Example 18b) Show SMILES Cc1c(c(nn1C1CC2(C1)CN(C2)C(=O)C=C)-c1ccc2n(CCN3CC[C@H](F)C3)ncc2c1)-c1c(Cl)c(C)cc2[nH]ncc12 |r,wD:27.30,(54.94,-11.31,;56.4,-10.83,;57.65,-11.73,;58.9,-10.82,;58.42,-9.35,;56.88,-9.36,;55.97,-8.11,;56.21,-6.59,;54.69,-6.35,;54.45,-7.88,;55.08,-4.86,;53.59,-4.46,;53.19,-5.96,;52.82,-3.13,;53.58,-1.79,;51.28,-3.13,;50.5,-1.8,;60.36,-11.29,;60.68,-12.79,;62.14,-13.26,;63.28,-12.22,;64.82,-12.36,;65.6,-13.68,;64.85,-15.02,;65.63,-16.35,;67.17,-16.48,;67.51,-17.99,;66.19,-18.77,;66.04,-20.31,;65.03,-17.76,;65.42,-10.95,;64.27,-9.93,;62.95,-10.72,;61.48,-10.26,;57.67,-13.27,;56.34,-14.04,;55.01,-13.27,;56.34,-15.58,;55,-16.35,;57.67,-16.35,;59,-15.57,;60.47,-16.05,;61.38,-14.8,;60.47,-13.55,;59,-14.03,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q20V8HXK
					More data for this Ligand-Target Pair