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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM280730'   
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
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM280730
PNG
(US10030026, Compound C-12)
Show SMILES FC(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C18H19F4N7O/c19-17(20)30-12-1-2-14(23-7-12)18(21,22)9-29-5-3-11(4-6-29)27-15-13-8-26-28-16(13)25-10-24-15/h1-2,7-8,10-11,17H,3-6,9H2,(H2,24,25,26,27,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 23n/an/an/an/an/a25



Rugen Holdings (Cayman) Limited

US Patent


Assay Description
HEK293 cell lines stably expressing cloned human NR1/NR2B and NR1/NR2A, respectively, were established according to standard previously described met...


US Patent US10030026 (2018)


BindingDB Entry DOI: 10.7270/Q26D5W1Q
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM280730
PNG
(US10030026, Compound C-12)
Show SMILES FC(F)Oc1ccc(nc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C18H19F4N7O/c19-17(20)30-12-1-2-14(23-7-12)18(21,22)9-29-5-3-11(4-6-29)27-15-13-8-26-28-16(13)25-10-24-15/h1-2,7-8,10-11,17H,3-6,9H2,(H2,24,25,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+7n/an/an/an/an/an/a



Rugen Holdings (Cayman) Limited

US Patent




US Patent US10030026 (2018)


BindingDB Entry DOI: 10.7270/Q26D5W1Q
More data for this
Ligand-Target Pair