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8 similar compounds to monomer 50451789

Compile data set for download or QSAR
Wt: 270.7
BDBM50451767		Wt: 305.2
BDBM50451764		Wt: 270.7
BDBM50451766		Wt: 305.2
BDBM50451769		Wt: 305.2
BDBM50451770
Wt: 270.7
BDBM50451776		Wt: 270.7
BDBM50451782		Wt: 270.7
BDBM50451788

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50451767,50451764,50451766,50451769,50451770,50451776,50451782,50451788   
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 [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451766
PNG
(CHEMBL159761)
Show SMILES Clc1ccccc1CNC(=N)\C=C\c1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)12-19-16(18)11-10-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
PDB

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 1n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451769
PNG
(CHEMBL159902)
Show SMILES Clc1cc(Cl)cc(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-13(9-15(18)10-14)11-20-16(19)7-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b7-6+
PDB

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 1.40n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451764
PNG
(CHEMBL159425)
Show SMILES Clc1ccc(Cl)c(CNC(=N)\C=C\c2ccccc2)c1
Show InChI InChI=1S/C16H14Cl2N2/c17-14-7-8-15(18)13(10-14)11-20-16(19)9-6-12-4-2-1-3-5-12/h1-10H,11H2,(H2,19,20)/b9-6+
PDB

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 2.70n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451770
PNG
(CHEMBL350614)
Show SMILES Clc1cccc(CNC(=N)\C=C\c2ccccc2)c1Cl
Show InChI InChI=1S/C16H14Cl2N2/c17-14-8-4-7-13(16(14)18)11-20-15(19)10-9-12-5-2-1-3-6-12/h1-10H,11H2,(H2,19,20)/b10-9+
PDB

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 3.60n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451782
PNG
(CHEMBL159894)
Show SMILES Clc1cccc(\C=C\C(=N)NCc2ccccc2)c1
Show InChI InChI=1S/C16H15ClN2/c17-15-8-4-7-13(11-15)9-10-16(18)19-12-14-5-2-1-3-6-14/h1-11H,12H2,(H2,18,19)/b10-9+
PDB

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 12n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451767
PNG
(CHEMBL161332)
Show SMILES Clc1ccc(\C=C\C(=N)NCc2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11H,12H2,(H2,18,19)/b11-8+
PDB

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 52n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451788
PNG
(CHEMBL161008)
Show SMILES Clc1ccc(CNC(=N)\C=C\c2ccccc2)cc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-6-14(7-10-15)12-19-16(18)11-8-13-4-2-1-3-5-13/h1-11H,12H2,(H2,18,19)/b11-8+
PDB

KEGG

UniProtKB/SwissProt

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GoogleScholar
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UniChem

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Article
PubMed
 77n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]ifenprodil binding to recombinant human NR1a/NR2B receptors expressed in L(tk-) cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1


(Homo sapiens (Human))		BDBM50451776
PNG
(CHEMBL353131)
Show SMILES Clc1ccccc1\C=C\C(=N)NCc1ccccc1
Show InChI InChI=1S/C16H15ClN2/c17-15-9-5-4-8-14(15)10-11-16(18)19-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,18,19)/b11-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 93n/an/an/an/an/an/an/an/a



Merck Sharp& Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Selectivity for inhibition of the response to glutamate/glycine in NR1a/NR2B expressing cells

Bioorg Med Chem Lett 13: 693-6 (2003)


Article DOI: 10.1016/s0960-894x(02)01060-0
BindingDB Entry DOI: 10.7270/Q2KK9D95
More data for this
Ligand-Target Pair