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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM198747'   
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))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.20 -50.8n/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))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6.70 -50.6n/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))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
89 -43.6n/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))
BDBM198747
PNG
(BDBM198748 | BDBM198749 | BDBM198750 | US9221796, ...)
Show SMILES Cc1ccc(CN2CCC(N3CCC(c4ccc(O)cc4)C(F)(F)C3)C2=O)cc1F
Show InChI InChI=1/C23H25F3N2O2/c1-15-2-3-16(12-20(15)24)13-27-11-9-21(22(27)30)28-10-8-19(23(25,26)14-28)17-4-6-18(29)7-5-17/h2-7,12,19,21,29H,8-11,13-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
690 -38.1n/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