null

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

InChI Key: InChIKey=YZMITHOPDOPJBH-HLNVOFQHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 374730   

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))	BDBM374730 (US10246467, Example I-1 | US10246467, Example I-2 ...) Show SMILES OC(=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/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,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	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))	BDBM374730 (US10246467, Example I-1 | US10246467, Example I-2 ...) Show SMILES OC(=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/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,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	5	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))	BDBM374730 (US10246467, Example I-1 | US10246467, Example I-2 ...) Show SMILES OC(=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/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,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	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))	BDBM374730 (US10246467, Example I-1 | US10246467, Example I-2 ...) Show SMILES OC(=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/C30H23Cl2FN4O4/c31-16-7-9-19-22(11-16)34-29(40)30(19)24(18-2-1-3-20(32)25(18)33)26-23(36(30)12-14-4-5-14)13-41-27-17-8-6-15(28(38)39)10-21(17)35-37(26)27/h1-3,6-11,14,23-24,26H,4-5,12-13H2,(H,34,40)(H,38,39)/t23-,24-,26+,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	5	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