Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase HRas' and Ligand = 'BDBM50287943'   

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 HRas (Homo sapiens (Human))	BDBM50287943 ((E)-4-[(2R,6R)-6-(4-Chloro-6-methoxy-3-methyl-pyra...) Show SMILES COc1ccc2nc3n(nc(C)c3c(Cl)c2c1)[C@H]1CN(C[C@H](O1)C=CCC(=O)c1ccccc1)Sc1ccccc1[N+]([O-])=O |w:24.28| Show InChI InChI=1S/C32H28ClN5O5S/c1-20-30-31(33)24-17-22(42-2)15-16-25(24)34-32(30)37(35-20)29-19-36(44-28-14-7-6-12-26(28)38(40)41)18-23(43-29)11-8-13-27(39)21-9-4-3-5-10-21/h3-12,14-17,23,29H,13,18-19H2,1-2H3/t23-,29-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of nucleotide exchange process of oncogenic Ras in vitro				Bioorg Med Chem Lett 6: 195-200 (1996) Article DOI: 10.1016/0960-894X(95)00574-D BindingDB Entry DOI: 10.7270/Q2G160TB
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