Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50501347'   

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))	BDBM50501347 (CHEMBL3935647) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)C(F)(F)P(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21ClF2N6O11P2/c16-3-7(25)20-1-2-33-36(29,30)15(17,18)37(31,32)34-4-6-9(26)10(27)13(35-6)24-5-21-8-11(24)22-14(19)23-12(8)28/h5-6,9-10,13,26-27H,1-4H2,(H,20,25)(H,29,30)(H,31,32)(H3,19,22,23,28)/t6-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to GMP-stabilized FLAG-tagged KRAS G12C mutant (unknown origin) using desthiobiotin-GTP probe by alphascreen assay				ACS Med Chem Lett 8: 61-66 (2017) Article DOI: 10.1021/acsmedchemlett.6b00373 BindingDB Entry DOI: 10.7270/Q24F1TRH
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