BDBM50448956 CHEMBL3125700::US9296736, 338::US9593129, Example 338

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

InChI Key: InChIKey=OVWIUVUGTIFJJB-HLMLHLEXSA-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 = 50448956   

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))	BDBM50448956 (CHEMBL3125700 | US9296736, 338 | US9593129, Exampl...) Show SMILES CC(C)[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)22(15-35(4,33)34)29-24(17-8-10-19(27)11-9-17)21(18-6-5-7-20(28)12-18)13-26(3,25(29)32)14-23(30)31/h5-12,16,21-22,24H,13-15H2,1-4H3,(H,30,31)/t21-,22-,24-,26-/m1/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 (aa 1-188) (Homo sapiens (Human))	BDBM50448956 (CHEMBL3125700 | US9296736, 338 | US9593129, Exampl...) Show SMILES CC(C)[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)22(15-35(4,33)34)29-24(17-8-10-19(27)11-9-17)21(18-6-5-7-20(28)12-18)13-26(3,25(29)32)14-23(30)31/h5-12,16,21-22,24H,13-15H2,1-4H3,(H,30,31)/t21-,22-,24-,26-/m1/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))	BDBM50448956 (CHEMBL3125700 | US9296736, 338 | US9593129, Exampl...) Show SMILES CC(C)[C@@H](CS(C)(=O)=O)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C26H31Cl2NO5S/c1-16(2)22(15-35(4,33)34)29-24(17-8-10-19(27)11-9-17)21(18-6-5-7-20(28)12-18)13-26(3,25(29)32)14-23(30)31/h5-12,16,21-22,24H,13-15H2,1-4H3,(H,30,31)/t21-,22-,24-,26-/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	0.300	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