BDBM50126113 CHEMBL3627749

SMILES: CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1

InChI Key: InChIKey=WSTXXFRRXUUZFV-NDEPHWFRSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50126113   

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
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126113 (CHEMBL3627749) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as apparent inhibition constant for reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 ...				Bioorg Med Chem Lett 25: 4878-80 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM50126113 (CHEMBL3627749) Show SMILES CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cn(CCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(O)=O)nn1 |r| Show InChI InChI=1S/C33H35N5O6/c1-33(2,3)44-32(42)34-22-16-14-21(15-17-22)29-19-38(37-36-29)18-8-13-28(30(39)40)35-31(41)43-20-27-25-11-6-4-9-23(25)24-10-5-7-12-26(24)27/h4-7,9-12,14-17,19,27-28H,8,13,18,20H2,1-3H3,(H,34,42)(H,35,41)(H,39,40)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Inhibition of human MDM2 (17 to 125 residues) assessed as reduction in MDM2 interaction with FAM-LTFEHYWAQLTS-CONH2 peptide incubated for 30 mins by ...				Bioorg Med Chem Lett 25: 4878-80 (2015) BindingDB Entry DOI: 10.7270/Q2MS3VK7
					More data for this Ligand-Target Pair