BDBM50165699 CHEMBL3797454

SMILES: CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cc(ccn1)C(N)=O)C(=O)c1cnccc1C(F)(F)F

InChI Key: InChIKey=UHCAFHQHBCXDJR-ZUKKLESISA-N

Data: 1 IC50

PDB links: 16 PDB IDs match 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 1 hit for monomerid = 50165699   

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))	BDBM50165699 (CHEMBL3797454) Show SMILES CCC[C@H]1N(CCC[C@@]1(Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCC(CC1)Oc1cc(ccn1)C(N)=O)C(=O)c1cnccc1C(F)(F)F |r| Show InChI InChI=1S/C34H35F6N5O5/c1-2-4-27-32(50-24-7-5-22(6-8-24)33(35,36)37,13-3-16-45(27)30(47)25-20-42-14-10-26(25)34(38,39)40)31(48)44-17-11-23(12-18-44)49-28-19-21(29(41)46)9-15-43-28/h5-10,14-15,19-20,23,27H,2-4,11-13,16-18H2,1H3,(H2,41,46)/t27-,32+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human MDM2 assessed as inhibition of interaction with p53 by fluorescence polarization assay				Bioorg Med Chem Lett 26: 2735-8 (2016) Article DOI: 10.1016/j.bmcl.2016.03.078 BindingDB Entry DOI: 10.7270/Q28S4RTD
					More data for this Ligand-Target Pair