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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM198751'   
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))
BDBM198751
PNG
(BDBM198752 | BDBM198827 | US9221796, 53, P-1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1/C23H23F5N2O2/c24-22(25)14-30(11-9-19(22)16-3-7-18(31)8-4-16)20-10-12-29(21(20)32)13-15-1-5-17(6-2-15)23(26,27)28/h1-8,19-20,31H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
5.80 -51.0n/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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198751
PNG
(BDBM198752 | BDBM198827 | US9221796, 53, P-1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1/C23H23F5N2O2/c24-22(25)14-30(11-9-19(22)16-3-7-18(31)8-4-16)20-10-12-29(21(20)32)13-15-1-5-17(6-2-15)23(26,27)28/h1-8,19-20,31H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
36 -46.0n/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
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM198751
PNG
(BDBM198752 | BDBM198827 | US9221796, 53, P-1)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)C1CCN(Cc2ccc(cc2)C(F)(F)F)C1=O
Show InChI InChI=1/C23H23F5N2O2/c24-22(25)14-30(11-9-19(22)16-3-7-18(31)8-4-16)20-10-12-29(21(20)32)13-15-1-5-17(6-2-15)23(26,27)28/h1-8,19-20,31H,9-14H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
1.10E+3 -36.9n/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