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BDBM50012589 CHEMBL3260816

SMILES: Fc1ccc(cc1Cl)-c1c(nc(C2CCCCC2)n1-c1cccc(Cl)c1F)-c1nnn[nH]1

InChI Key: InChIKey=APOKXFGOAIBPAE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50012589   
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))		BDBM50012589
PNG
(CHEMBL3260816)
Show SMILES Fc1ccc(cc1Cl)-c1c(nc(C2CCCCC2)n1-c1cccc(Cl)c1F)-c1nnn[nH]1 |(48.97,-18.08,;50.51,-18.09,;51.28,-19.43,;52.82,-19.43,;53.59,-18.11,;52.83,-16.77,;51.29,-16.76,;50.53,-15.42,;55.13,-18.11,;55.65,-16.67,;57.19,-16.72,;57.61,-18.2,;59.06,-18.73,;59.32,-20.25,;60.77,-20.78,;61.95,-19.79,;61.68,-18.27,;60.23,-17.74,;56.34,-19.06,;56.28,-20.59,;54.92,-21.31,;54.86,-22.85,;56.17,-23.67,;57.53,-22.94,;58.84,-23.76,;57.58,-21.41,;58.94,-20.68,;54.78,-15.39,;53.24,-15.34,;52.82,-13.86,;54.09,-13,;55.31,-13.94,)|
Show InChI InChI=1S/C22H18Cl2F2N6/c23-14-7-4-8-17(18(14)26)32-20(13-9-10-16(25)15(24)11-13)19(21-28-30-31-29-21)27-22(32)12-5-2-1-3-6-12/h4,7-12H,1-3,5-6H2,(H,28,29,30,31)
PDB
MMDB

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Article
PubMed
n/an/a 3n/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