Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'E3 ubiquitin-protein ligase Mdm2' and Ligand = 'BDBM112750'   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM112750 (US8629141, 17) Show SMILES CNC(=O)[C@@H]1NC2(CCN(C)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C24H25Cl2FN4O2/c1-28-21(32)20-18(14-4-3-5-16(26)19(14)27)24(23(30-20)8-10-31(2)11-9-23)15-7-6-13(25)12-17(15)29-22(24)33/h3-7,12,18,20,30H,8-11H2,1-2H3,(H,28,32)(H,29,33)/t18-,20+,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Comprehensive Cancer Center Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to recombinant human gamma-aminobutyric-acid A receptor alpha-1-beta-3-gamma-2				J Med Chem 60: 2819-2839 (2017) Article DOI: 10.1021/acs.jmedchem.6b01665 BindingDB Entry DOI: 10.7270/Q25Q4ZCF
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM112750 (US8629141, 17) Show SMILES CNC(=O)[C@@H]1NC2(CCN(C)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21 |r| Show InChI InChI=1S/C24H25Cl2FN4O2/c1-28-21(32)20-18(14-4-3-5-16(26)19(14)27)24(23(30-20)8-10-31(2)11-9-23)15-7-6-13(25)12-17(15)29-22(24)33/h3-7,12,18,20,30H,8-11H2,1-2H3,(H,28,32)(H,29,33)/t18-,20+,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Regents of the University of Michigan; Sanofi US Patent					Assay Description The binding affinity of the MDM2 inhibitors disclosed herein was determined using a fluorescence polarization-based (FP-based) binding assay using a ...				US Patent US8629141 (2014) BindingDB Entry DOI: 10.7270/Q2W094KC
					More data for this Ligand-Target Pair