null

SMILES: Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O

InChI Key: InChIKey=BEGADGRKUSCXTH-RXRCSWILSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374789   

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))	BDBM374789 (US10246467, Example I-109 | US10246467, Example I-...) Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,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	11	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))	BDBM374789 (US10246467, Example I-109 | US10246467, Example I-...) Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,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	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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM374789 (US10246467, Example I-109 | US10246467, Example I-...) Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,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	11	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))	BDBM374789 (US10246467, Example I-109 | US10246467, Example I-...) Show SMILES Cc1c(ccc2nn3[C@@H]4[C@H](COc3c12)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12)C(O)=O |r| Show InChI InChI=1S/C31H25Cl2FN4O4/c1-14-17(29(39)40)8-10-21-24(14)28-38(36-21)27-23(13-42-28)37(12-15-5-6-15)31(25(27)18-3-2-4-20(33)26(18)34)19-9-7-16(32)11-22(19)35-30(31)41/h2-4,7-11,15,23,25,27H,5-6,12-13H2,1H3,(H,35,41)(H,39,40)/t23-,25-,27+,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	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