null

SMILES: CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1

InChI Key: InChIKey=VDSFSAYTPKMMRH-VBVRERCOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374742   

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))	BDBM374742 (US10246467, Example I-13 | US10246467, Example I-1...) Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/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	87	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))	BDBM374742 (US10246467, Example I-13 | US10246467, Example I-1...) Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/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	51	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))	BDBM374742 (US10246467, Example I-13 | US10246467, Example I-1...) Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/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	87	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))	BDBM374742 (US10246467, Example I-13 | US10246467, Example I-1...) Show SMILES CS(=O)(=O)c1ccc2c3OC[C@H]4[C@H]([C@H](c5cccc(Cl)c5F)[C@@]5(N4CC4CC4)C(=O)Nc4cc(Cl)ccc54)n3nc2c1 |r| Show InChI InChI=1S/C30H25Cl2FN4O4S/c1-42(39,40)17-8-9-18-22(12-17)35-37-27-24(14-41-28(18)37)36(13-15-5-6-15)30(25(27)19-3-2-4-21(32)26(19)33)20-10-7-16(31)11-23(20)34-29(30)38/h2-4,7-12,15,24-25,27H,5-6,13-14H2,1H3,(H,34,38)/t24-,25-,27+,30+/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	51	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