Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50088354'   

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))	BDBM50088354 (CHEMBL2086795) Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1 |r| Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to 15N-labelled GDP bound KRas G12D mutant ( 1 to 169 residues) (unknown origin) expressed in Escherichia coli Rosetta 2 (DE3) cells...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01312 BindingDB Entry DOI: 10.7270/Q2T1578S
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50088354 (CHEMBL2086795) Show SMILES CC[C@H](C)[C@H](N)C(=O)Nc1ccc2nc(Cc3c[nH]c4ccccc34)[nH]c2c1 |r| Show InChI InChI=1S/C22H25N5O/c1-3-13(2)21(23)22(28)25-15-8-9-18-19(11-15)27-20(26-18)10-14-12-24-17-7-5-4-6-16(14)17/h4-9,11-13,21,24H,3,10,23H2,1-2H3,(H,25,28)(H,26,27)/t13-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.90E+5	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to KRas (unknown origin)				Bioorg Med Chem Lett 25: 2461-8 (2015) Article DOI: 10.1016/j.bmcl.2015.04.089 BindingDB Entry DOI: 10.7270/Q2SF2XVC
					More data for this Ligand-Target Pair