null

SMILES: CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1

InChI Key: InChIKey=ATDZTLRGKQSJFT-FHBKDIMNSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374770   

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
Cellular tumor antigen p53 [16-27]/E3 ubiquitin-protein ligase Mdm2 [23-117] (Homo sapiens (Human))	BDBM374770 (US10246467, Example I-67 | US10246467, Example I-6...) Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/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	7	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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM374770 (US10246467, Example I-67 | US10246467, Example I-6...) Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/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	3	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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM374770 (US10246467, Example I-67 | US10246467, Example I-6...) Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/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	7	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))	BDBM374770 (US10246467, Example I-67 | US10246467, Example I-6...) Show SMILES CCOc1cccc(CN2[C@H]3COc4n(nc5cc(ccc45)C(O)=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]22C(=O)Nc3cc(Cl)ccc23)c1 |r| Show InChI InChI=1S/C35H27Cl2FN4O5/c1-2-46-21-6-3-5-18(13-21)16-41-28-17-47-32-22-11-9-19(33(43)44)14-26(22)40-42(32)31(28)29(23-7-4-8-25(37)30(23)38)35(41)24-12-10-20(36)15-27(24)39-34(35)45/h3-15,28-29,31H,2,16-17H2,1H3,(H,39,45)(H,43,44)/t28-,29-,31+,35+/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	3	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