BDBM50448935 CHEMBL3125528::US9296736, 304::US9593129, Example 304

SMILES: CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1

InChI Key: InChIKey=PHSXCIHKZKDKHQ-ONRXEWETSA-N

Data: 4 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 4 hits for monomerid = 50448935   

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 [1-83]/E3 ubiquitin-protein ligase Mdm2 [1-188] (Homo sapiens (Human))	BDBM50448935 (CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...) Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,28+/m0/s1	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	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 [1-188] (Homo sapiens (Human))	BDBM50448935 (CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...) Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,28+/m0/s1	PDB GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	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))	BDBM50448935 (CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...) Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,28+/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	0.200	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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50448935 (CHEMBL3125528 | US9296736, 304 | US9593129, Exampl...) Show SMILES CC[C@@H](CS(=O)(=O)CC1CC1)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H33Cl2NO5S/c1-3-23(17-37(35,36)16-18-7-8-18)31-26(19-9-11-21(29)12-10-19)24(20-5-4-6-22(30)13-20)14-28(2,27(31)34)15-25(32)33/h4-6,9-13,18,23-24,26H,3,7-8,14-17H2,1-2H3,(H,32,33)/t23-,24+,26+,28+/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	1.80	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 in presence of 15% h...				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