BDBM374741 US10246467, Example I-12::US10919913, # I-12

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

InChI Key: InChIKey=JURMESUCSRKLSS-OVRLWXHPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 374741   

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
MDM2-MDMX (Homo sapiens (Human))	BDBM374741 (US10246467, Example I-12 | US10919913, # I-12) Show SMILES COc1cc2nn3[C@H]4[C@@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H25Cl2FN4O5/c1-42-24-11-21-17(10-18(24)29(39)40)28-38(36-21)27-23(13-43-28)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/m1/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	986	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
MDM2/P53 (Homo sapiens (Human))	BDBM374741 (US10246467, Example I-12 | US10919913, # I-12) Show SMILES COc1cc2nn3[C@H]4[C@@H](COc3c2cc1C(O)=O)N(CC1CC1)[C@@]1([C@@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C31H25Cl2FN4O5/c1-42-24-11-21-17(10-18(24)29(39)40)28-38(36-21)27-23(13-43-28)37(12-14-5-6-14)31(25(27)16-3-2-4-20(33)26(16)34)19-8-7-15(32)9-22(19)35-30(31)41/h2-4,7-11,14,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	986	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