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4 similar compounds to monomer 50447405

Compile data set for download or QSAR
Wt: 324.2
BDBM50124913
Wt: 294.2
BDBM50124915
Wt: 330.2
BDBM50447403
Wt: 330.2
BDBM50447404

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50124913,50124915,50447403,50447404   
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))
BDBM50447403
PNG
(CHEMBL3114912)
Show SMILES NC(=NCc1cc(F)cc(F)c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11F5N2O/c16-11-5-9(6-12(17)7-11)8-22-14(21)10-1-3-13(4-2-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.60n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50447404
PNG
(CHEMBL3114913)
Show SMILES NC(=NCc1ccc(F)c(F)c1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H11F5N2O/c16-12-6-1-9(7-13(12)17)8-22-14(21)10-2-4-11(5-3-10)23-15(18,19)20/h1-7H,8H2,(H2,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30n/an/an/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil from Wistar rat GluN2B receptor after 2 hrs by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 828-30 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.087
BindingDB Entry DOI: 10.7270/Q2XK8H20
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124915
PNG
(CHEMBL161421 | N-Benzyl-4-trifluoromethoxy-benzami...)
Show SMILES NC(=NCc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)21-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124913
PNG
(CHEMBL160013 | N-(4-Methoxy-benzyl)-4-trifluoromet...)
Show SMILES COc1ccc(CN=C(N)c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C16H15F3N2O2/c1-22-13-6-2-11(3-7-13)10-21-15(20)12-4-8-14(9-5-12)23-16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))
BDBM50124915
PNG
(CHEMBL161421 | N-Benzyl-4-trifluoromethoxy-benzami...)
Show SMILES NC(=NCc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)21-13-8-6-12(7-9-13)14(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of NMDA receptor-specific [3H]-ifenprodil binding to recombinant human NMDA receptor, NR2B subtype expressed in L cells


Bioorg Med Chem Lett 13: 697-700 (2003)


Article DOI: 10.1016/s0960-894x(02)01061-2
BindingDB Entry DOI: 10.7270/Q2FX78TP
More data for this
Ligand-Target Pair