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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 = 'BDBM198805'   
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


(Rattus norvegicus (Rat))
BDBM198805
PNG
(BDBM198821 | US9221796, 95, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-20(21(26)29)27-11-9-19(22(24,25)14-27)16-3-7-18(28)8-4-16/h1-8,19-20,28H,9-14H2/t19?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.60 -51.6n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198805
PNG
(BDBM198821 | US9221796, 95, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)cc2)C1=O |r|
Show InChI InChI=1/C22H23ClF2N2O2/c23-17-5-1-15(2-6-17)13-26-12-10-20(21(26)29)27-11-9-19(22(24,25)14-27)16-3-7-18(28)8-4-16/h1-8,19-20,28H,9-14H2/t19?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
12 -49.0n/an/an/an/an/an/a50



Bristol-Myers Squibb Company

US Patent


Assay Description
To perform the competition binding assay, thawed membrane homogenate was added to each well of a 96-well plate (20 ug/well). The experimental compo...


US Patent US9221796 (2015)


BindingDB Entry DOI: 10.7270/Q20V8BK1
More data for this
Ligand-Target Pair