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BDBM50012586 CHEMBL3260821

SMILES: Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)NC2CCCCC2)ccc(Cl)c1F

InChI Key: InChIKey=SMUUKZTVPGSBEE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012586   
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))		BDBM50012586
PNG
(CHEMBL3260821)
Show SMILES Nc1nnc(o1)-c1nc(C2CCCCC2)n(c1-c1ccc(F)c(Cl)c1)-c1c(CC(=O)NC2CCCCC2)ccc(Cl)c1F |(63.6,-25.42,;63.55,-26.96,;62.27,-27.82,;62.7,-29.3,;64.24,-29.35,;64.76,-27.9,;65.1,-30.63,;66.65,-30.68,;67.07,-32.16,;68.51,-32.69,;68.78,-34.21,;70.22,-34.74,;71.4,-33.75,;71.13,-32.23,;69.69,-31.7,;65.79,-33.02,;64.58,-32.07,;63.04,-32.07,;62.27,-33.39,;60.74,-33.39,;59.96,-32.05,;58.42,-32.04,;60.74,-30.72,;59.98,-29.38,;62.28,-30.73,;65.74,-34.55,;64.37,-35.27,;63.07,-34.45,;61.71,-35.17,;60.4,-34.36,;61.65,-36.71,;60.29,-37.43,;58.99,-36.61,;57.63,-37.32,;57.57,-38.86,;58.87,-39.69,;60.24,-38.97,;64.32,-36.81,;65.62,-37.63,;66.99,-36.9,;68.3,-37.72,;67.04,-35.37,;68.4,-34.64,)|
Show InChI InChI=1S/C31H32Cl2F2N6O2/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/h11-15,17,20H,1-10,16H2,(H2,36,40)(H,37,42)
PDB
MMDB

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Article
PubMed
n/an/a 2n/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