Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50514369'   

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))	BDBM50514369 (CHEMBL4467413) Show SMILES C[C@H]1CN(CCN1c1nc(=O)n(-c2ccccc2C(C)(C)C)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(33.78,-12.93,;33.79,-11.4,;32.46,-10.61,;32.46,-9.07,;33.81,-8.31,;35.13,-9.09,;35.12,-10.63,;36.44,-11.4,;36.44,-12.94,;37.77,-13.71,;36.43,-14.46,;39.1,-12.95,;40.44,-13.71,;41.77,-12.94,;43.1,-13.7,;43.11,-15.25,;41.77,-16.03,;40.43,-15.25,;39.1,-16.03,;37.77,-15.27,;39.11,-17.56,;37.77,-16.78,;39.1,-11.41,;40.44,-10.64,;40.43,-9.08,;39.1,-8.32,;39.09,-6.78,;37.77,-9.09,;37.77,-10.64,;41.76,-8.32,;43.1,-9.08,;43.1,-10.62,;44.43,-8.31,;44.43,-6.77,;43.08,-6,;41.75,-6.78,;40.41,-6.02,;31.13,-8.29,;31.15,-6.75,;29.79,-9.05,;28.46,-8.27,)| Show InChI InChI=1S/C31H31ClFN5O3/c1-6-25(40)36-14-15-37(18(2)17-36)28-19-16-21(32)27(26-22(33)11-9-13-24(26)39)34-29(19)38(30(41)35-28)23-12-8-7-10-20(23)31(3,4)5/h6-13,16,18,39H,1,14-15,17H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of KRAS in human MIAPaca2 cells assessed as decrease in EGF-stimulated ERK1/2 phosphorylation preincubated for 2 hrs followed by EGF stimu...				J Med Chem 63: 52-65 (2020) Article DOI: 10.1021/acs.jmedchem.9b01180 BindingDB Entry DOI: 10.7270/Q2SQ93Q2
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50514369 (CHEMBL4467413) Show SMILES C[C@H]1CN(CCN1c1nc(=O)n(-c2ccccc2C(C)(C)C)c2nc(c(Cl)cc12)-c1c(O)cccc1F)C(=O)C=C |r,wU:1.0,(33.78,-12.93,;33.79,-11.4,;32.46,-10.61,;32.46,-9.07,;33.81,-8.31,;35.13,-9.09,;35.12,-10.63,;36.44,-11.4,;36.44,-12.94,;37.77,-13.71,;36.43,-14.46,;39.1,-12.95,;40.44,-13.71,;41.77,-12.94,;43.1,-13.7,;43.11,-15.25,;41.77,-16.03,;40.43,-15.25,;39.1,-16.03,;37.77,-15.27,;39.11,-17.56,;37.77,-16.78,;39.1,-11.41,;40.44,-10.64,;40.43,-9.08,;39.1,-8.32,;39.09,-6.78,;37.77,-9.09,;37.77,-10.64,;41.76,-8.32,;43.1,-9.08,;43.1,-10.62,;44.43,-8.31,;44.43,-6.77,;43.08,-6,;41.75,-6.78,;40.41,-6.02,;31.13,-8.29,;31.15,-6.75,;29.79,-9.05,;28.46,-8.27,)| Show InChI InChI=1S/C31H31ClFN5O3/c1-6-25(40)36-14-15-37(18(2)17-36)28-19-16-21(32)27(26-22(33)11-9-13-24(26)39)34-29(19)38(30(41)35-28)23-12-8-7-10-20(23)31(3,4)5/h6-13,16,18,39H,1,14-15,17H2,2-5H3/t18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	117	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of GDP bound recombinant human His-tagged KRAS G12C/C118A mutant (1 to 169 residues) assessed as reduction in SOS1-mediated GDP/GTP nucleo...				J Med Chem 63: 52-65 (2020) Article DOI: 10.1021/acs.jmedchem.9b01180 BindingDB Entry DOI: 10.7270/Q2SQ93Q2
					More data for this Ligand-Target Pair