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BDBM50012593 CHEMBL3260820

SMILES: Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)Nc2ccccc2)ccc(Cl)c1F

InChI Key: InChIKey=LVTCZQLXJGEKOF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012593   
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
E3 ubiquitin-protein ligase Mdm2


(Homo sapiens (Human))		BDBM50012593
PNG
(CHEMBL3260820)
Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)Nc2ccccc2)ccc(Cl)c1F |(48.79,-24.38,;48.74,-25.92,;47.46,-26.78,;47.89,-28.26,;49.43,-28.31,;49.96,-26.86,;50.3,-29.59,;51.84,-29.64,;52.26,-31.12,;53.71,-31.65,;53.97,-33.17,;55.42,-33.7,;56.6,-32.71,;56.33,-31.19,;54.88,-30.66,;50.99,-31.98,;49.77,-31.03,;48.24,-31.03,;47.47,-32.35,;45.93,-32.35,;45.16,-31.01,;43.62,-31,;45.94,-29.68,;45.17,-28.34,;47.48,-29.69,;50.93,-33.51,;49.57,-34.23,;48.26,-33.42,;46.9,-34.13,;45.6,-33.32,;46.84,-35.67,;45.48,-36.39,;44.18,-35.57,;42.82,-36.29,;42.77,-37.83,;44.08,-38.65,;45.43,-37.93,;49.51,-35.77,;50.82,-36.59,;52.18,-35.86,;53.49,-36.68,;52.23,-34.33,;53.59,-33.6,)|
Show InChI InChI=1S/C31H26Cl2F2N6O2/c32-21-13-11-19(16-24(42)37-20-9-5-2-6-10-20)27(25(21)35)41-28(18-12-14-23(34)22(33)15-18)26(30-39-40-31(36)43-30)38-29(41)17-7-3-1-4-8-17/h2,5-6,9-15,17H,1,3-4,7-8,16H2,(H2,36,40)(H,37,42)
PDB
MMDB

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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of MDM2 (unknown origin) (2 to 188) assessed as inhibition of p53-MDM2 interaction by TR-FRET assay

Bioorg Med Chem Lett 24: 2110-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.039
BindingDB Entry DOI: 10.7270/Q2RJ4M1C
More data for this
Ligand-Target Pair