BDBM50448960 CHEMBL3125540::US9296736, 365::US9593129, Example 365

SMILES: CC(C)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C

InChI Key: InChIKey=DTRYBWHJZODGQR-HIJQLYNKSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50448960   

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
MDM2 and p53 (Homo sapiens (Human))	BDBM50448960 (CHEMBL3125540 | US9296736, 365 | US9593129, Exampl...) Show SMILES CC(C)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)38(36,37)17-24(28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	7.4	25
Amgen INC. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US9296736 (2016) BindingDB Entry DOI: 10.7270/Q29022M2
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (aa 1-188) (Homo sapiens (Human))	BDBM50448960 (CHEMBL3125540 | US9296736, 365 | US9593129, Exampl...) Show SMILES CC(C)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)38(36,37)17-24(28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Amgen, Inc. US Patent					Assay Description The standard assay conditions for the in vitro HTRF assay consisted of a 50 ul total reaction volume in black 384-well Costar polypropylene plates in...				US Patent US9593129 (2017) BindingDB Entry DOI: 10.7270/Q20P1232
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50448960 (CHEMBL3125540 | US9296736, 365 | US9593129, Exampl...) Show SMILES CC(C)S(=O)(=O)C[C@@H](N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(C)(C)C |r| Show InChI InChI=1S/C29H37Cl2NO5S/c1-18(2)38(36,37)17-24(28(3,4)5)32-26(19-10-12-21(30)13-11-19)23(20-8-7-9-22(31)14-20)15-29(6,27(32)35)16-25(33)34/h7-14,18,23-24,26H,15-17H2,1-6H3,(H,33,34)/t23-,24-,26-,29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Binding affinity to human GST-thrombin-tagged MDM2 assessed as inhibition of interaction with human p53 after 1 hr by HTRF assay				J Med Chem 57: 1454-72 (2014) Article DOI: 10.1021/jm401753e BindingDB Entry DOI: 10.7270/Q24M960Z
					More data for this Ligand-Target Pair