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BDBM435144 US10584127, Compound E1-2.2

SMILES: Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1

InChI Key: InChIKey=PNANHTBJHNWSGP-MRXNPFEDSA-N

Data: 2 IC50

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 6 hits for monomerid = 435144   
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


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.4n/an/an/an/an/an/a



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 US10584127 (2020)


BindingDB Entry DOI: 10.7270/Q2Q242NP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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


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 US10584127 (2020)


BindingDB Entry DOI: 10.7270/Q2Q242NP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB
MMDB

NCI pathway
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PC cid
PC sid
UniChem
n/an/a 10.4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2A


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
n/an/a 10.4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM435144
PNG
(US10584127, Compound E1-2.2 | US11136328, Compound...)
Show SMILES Cc1ccc(COC(=O)N2CC[C@H](CNc3cncc4nncn34)C(F)(F)C2)cc1 |r|
Show InChI InChI=1S/C20H22F2N6O2/c1-14-2-4-15(5-3-14)11-30-19(29)27-7-6-16(20(21,22)12-27)8-24-17-9-23-10-18-26-25-13-28(17)18/h2-5,9-10,13,16,24H,6-8,11-12H2,1H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10.4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair