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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Matrix protein 2 [1-96]' and Ligand = 'BDBM50343549'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343549
PNG
(3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,1...)
Show SMILES C1NCC23C4C=CC5C4C4C(C=CC24)C135 |c:5,12,TLB:4:3:11.12:9,7:14:11.12:9,6:7:4:13.9,0:14:4:13.9,0:14:8:5.6,2:3:8:5.6,THB:8:9:14.3:11.12,12:13:4:14.7,12:13:4.8:14.10,13:3:8:5.6,10:14:4:13.9,10:9:4:14.7,10:14:8:5.6,9:8:14.3:5.6,0:14:11.12:9,2:3:11.12:9,(27.24,-25.38,;29.04,-26.14,;27.89,-24.75,;27.89,-22.62,;29.02,-21.83,;30.43,-22.65,;29.91,-23.76,;28.62,-23.1,;28.74,-20.39,;26.08,-20.42,;25.96,-23.13,;24.58,-23.82,;25.23,-22.66,;26.36,-21.86,;27.24,-23.79,)|
Show InChI InChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.35E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of Influenza A virus (A/Udorn/72) wild type matrix protein 2 expressed in xenopus oocytes after 2 mins by two-electrode voltage clamp assa...


J Med Chem 54: 2646-57 (2011)


Article DOI: 10.1021/jm101334y
BindingDB Entry DOI: 10.7270/Q2H41RR0
More data for this
Ligand-Target Pair
Matrix protein 2 [1-96]


(Influenza A virus)
BDBM50343549
PNG
(3-Azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,1...)
Show SMILES C1NCC23C4C=CC5C4C4C(C=CC24)C135 |c:5,12,TLB:4:3:11.12:9,7:14:11.12:9,6:7:4:13.9,0:14:4:13.9,0:14:8:5.6,2:3:8:5.6,THB:8:9:14.3:11.12,12:13:4:14.7,12:13:4.8:14.10,13:3:8:5.6,10:14:4:13.9,10:9:4:14.7,10:14:8:5.6,9:8:14.3:5.6,0:14:11.12:9,2:3:11.12:9,(27.24,-25.38,;29.04,-26.14,;27.89,-24.75,;27.89,-22.62,;29.02,-21.83,;30.43,-22.65,;29.91,-23.76,;28.62,-23.1,;28.74,-20.39,;26.08,-20.42,;25.96,-23.13,;24.58,-23.82,;25.23,-22.66,;26.36,-21.86,;27.24,-23.79,)|
Show InChI InChI=1S/C14H15N/c1-2-8-11-7(1)13-5-15-6-14(8,13)10-4-3-9(13)12(10)11/h1-4,7-12,15H,5-6H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.35E+4n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Inhibition of influenza A virus wild type M2 proton channel expressed in Xenopus oocytes by two-electrode voltage clamp analysis


ACS Med Chem Lett 5: 831-6 (2014)


Article DOI: 10.1021/ml500108s
BindingDB Entry DOI: 10.7270/Q23X8897
More data for this
Ligand-Target Pair