Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'GTPase KRas' and Ligand = 'BDBM50579091'   

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))	BDBM50579091 (CHEMBL4849311) Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GTP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01130 BindingDB Entry DOI: 10.7270/Q22V2KZ6
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579091 (CHEMBL4849311) Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GDP-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hrs b...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01130 BindingDB Entry DOI: 10.7270/Q22V2KZ6
					More data for this Ligand-Target Pair
GTPase KRas (Homo sapiens (Human))	BDBM50579091 (CHEMBL4849311) Show SMILES CC(C)[C@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCCNC(=O)c3cc(cc(c3)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc3ccc4ccccc4c3)C(=O)N[C@@H](c3ccccc3)C(=O)N2)C(=O)NC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1=O)C(N)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GppNHp-bound K-Ras G12V mutant (1 to 185 residues) (unknown origin) expressed in Escherichia coli BL21 cells incubated for 2.5 hr...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01130 BindingDB Entry DOI: 10.7270/Q22V2KZ6
					More data for this Ligand-Target Pair