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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: 29 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)
LigandTarget/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
pHTemp
°C
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM50165699
PNG
(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
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
GoogleScholar
AffyNet 
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.72E+3n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair