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BDBM198807 BDBM198823::US9221796, 96, P-2

SMILES: Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O

InChI Key: InChIKey=GTVLWURWJGPZGL-QNYSZJFKNA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 198807   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM198807
PNG
(BDBM198823 | US9221796, 96, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H22ClF3N2O2/c23-18-6-1-14(11-19(18)24)12-27-10-8-20(21(27)30)28-9-7-17(22(25,26)13-28)15-2-4-16(29)5-3-15/h1-6,11,17,20,29H,7-10,12-13H2/t17?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
7.70 -12.0n/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))
BDBM198807
PNG
(BDBM198823 | US9221796, 96, P-2)
Show SMILES Oc1ccc(cc1)C1CCN(CC1(F)F)[C@@H]1CCN(Cc2ccc(Cl)c(F)c2)C1=O |r|
Show InChI InChI=1/C22H22ClF3N2O2/c23-18-6-1-14(11-19(18)24)12-27-10-8-20(21(27)30)28-9-7-17(22(25,26)13-28)15-2-4-16(29)5-3-15/h1-6,11,17,20,29H,7-10,12-13H2/t17?,20-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
18 -11.4n/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