BDBM50432658 CHEMBL2347399

SMILES: CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1

InChI Key: InChIKey=YYVYIVSNIAMIER-ZRBLBEILSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50432658   

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-MDMX (Homo sapiens (Human))	BDBM50432658 (CHEMBL2347399) Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...				J Med Chem 56: 4053-70 (2013) Article DOI: 10.1021/jm400293z BindingDB Entry DOI: 10.7270/Q2HD7X1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
MDM2-MDMX (Homo sapiens (Human))	BDBM50432658 (CHEMBL2347399) Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...				J Med Chem 56: 4053-70 (2013) Article DOI: 10.1021/jm400293z BindingDB Entry DOI: 10.7270/Q2HD7X1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
MDM2-MDMX (Homo sapiens (Human))	BDBM50432658 (CHEMBL2347399) Show SMILES CN1[C@@H]([C@@H](O[C@@H](Cc2ccccc2)C1=O)c1ccc(Br)cc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C24H21Br2NO2/c1-27-22(17-7-11-19(25)12-8-17)23(18-9-13-20(26)14-10-18)29-21(24(27)28)15-16-5-3-2-4-6-16/h2-14,21-23H,15H2,1H3/t21-,22+,23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-thrombin-MDM2 (1 to 188) expressed in Escherichia coli assessed as reduction of MDM2-p53 interaction incubated fo...				J Med Chem 56: 4053-70 (2013) Article DOI: 10.1021/jm400293z BindingDB Entry DOI: 10.7270/Q2HD7X1P
					More data for this Ligand-Target Pair				3D Structure (crystal)