null

SMILES: OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12

InChI Key: InChIKey=LKMZFXUNRYEKGW-MIMQBZNGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374793   

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))	BDBM374793 (US10246467, Example I-114 | US10246467, Example I-...) Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/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	9	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))	BDBM374793 (US10246467, Example I-114 | US10246467, Example I-...) Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/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	4	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))	BDBM374793 (US10246467, Example I-114 | US10246467, Example I-...) Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/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	9	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))	BDBM374793 (US10246467, Example I-114 | US10246467, Example I-...) Show SMILES OC(=O)c1cnc2nn3[C@@H]4[C@H](COc3c2c1)N(CC1CC1)[C@]1([C@H]4c2cccc(Cl)c2F)C(=O)Nc2cc(Cl)ccc12 |r| Show InChI InChI=1S/C29H22Cl2FN5O4/c30-15-6-7-18-20(9-15)34-28(40)29(18)22(16-2-1-3-19(31)23(16)32)24-21(36(29)11-13-4-5-13)12-41-26-17-8-14(27(38)39)10-33-25(17)35-37(24)26/h1-3,6-10,13,21-22,24H,4-5,11-12H2,(H,34,40)(H,38,39)/t21-,22-,24+,29+/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	4	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