null

SMILES: COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C#N)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12

InChI Key: InChIKey=DBQQVGHPOOQHRX-XYKPQQNDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374745   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM374745 (US10246467, Example I-16 | US10919913, # I-16) Show SMILES COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C#N)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H24Cl2FN5O3/c1-41-25-11-22-19(9-16(25)12-35)29-39(37-22)28-24(14-42-29)38(13-15-5-6-15)31(26(28)18-3-2-4-21(33)27(18)34)20-8-7-17(32)10-23(20)36-30(31)40/h2-4,7-11,15,24,26,28H,5-6,13-14H2,1H3,(H,36,40)/t24-,26-,28+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				US Patent US10919913 (2021)
					More data for this Ligand-Target Pair
Cellular tumor antigen p53 [16-27]/E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM374745 (US10246467, Example I-16 | US10919913, # I-16) Show SMILES COc1cc2nn3[C@@H]4[C@H](COc3c2cc1C#N)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H24Cl2FN5O3/c1-41-25-11-22-19(9-16(25)12-35)29-39(37-22)28-24(14-42-29)38(13-15-5-6-15)31(26(28)18-3-2-4-21(33)27(18)34)20-8-7-17(32)10-23(20)36-30(31)40/h2-4,7-11,15,24,26,28H,5-6,13-14H2,1H3,(H,36,40)/t24-,26-,28+,31+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
St. Jude Research Hospital					Assay Description This assay is used to determine whether the compounds inhibit the p53-MDM2 interaction and thus restore p53 function.15 μL of compound in 20% DM...				J Med Chem 50: 1876-85 (2007) BindingDB Entry DOI: 10.7270/Q2VX0JT2
					More data for this Ligand-Target Pair