BDBM50448972 CHEMBL3125515::US9296736, 182::US9593129, Example 182

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

InChI Key: InChIKey=DSXCZCSHMQWYGJ-NANZAVOOSA-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 = 50448972   

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))	BDBM50448972 (CHEMBL3125515 | US9296736, 182 | US9593129, Exampl...) Show SMILES CC[C@@H](CN(C)S(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H38Cl2N2O5S/c1-7-23(18-32(6)39(37,38)28(2,3)4)33-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(5,27(33)36)17-25(34)35/h8-15,23-24,26H,7,16-18H2,1-6H3,(H,34,35)/t23-,24+,26+,29+/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	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))	BDBM50448972 (CHEMBL3125515 | US9296736, 182 | US9593129, Exampl...) Show SMILES CC[C@@H](CN(C)S(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H38Cl2N2O5S/c1-7-23(18-32(6)39(37,38)28(2,3)4)33-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(5,27(33)36)17-25(34)35/h8-15,23-24,26H,7,16-18H2,1-6H3,(H,34,35)/t23-,24+,26+,29+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	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))	BDBM50448972 (CHEMBL3125515 | US9296736, 182 | US9593129, Exampl...) Show SMILES CC[C@@H](CN(C)S(=O)(=O)C(C)(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H38Cl2N2O5S/c1-7-23(18-32(6)39(37,38)28(2,3)4)33-26(19-11-13-21(30)14-12-19)24(20-9-8-10-22(31)15-20)16-29(5,27(33)36)17-25(34)35/h8-15,23-24,26H,7,16-18H2,1-6H3,(H,34,35)/t23-,24+,26+,29+/m0/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	0.700	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