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BDBM50440069 CHEMBL2426071

SMILES: OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=TUDQVMNYCDUOED-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50440069   
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 2D


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2D receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 7.80E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2A receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2B receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair
NMDA receptor subunit 2C (GluN2C)


(Rattus norvegicus (Rat))
BDBM50440069
PNG
(CHEMBL2426071)
Show SMILES OC(=O)CCCC(=O)N1N=C(CC1c1ccc(Br)cc1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O |c:9|
Show InChI InChI=1S/C29H23BrClN3O4/c30-19-11-9-17(10-12-19)24-16-23(33-34(24)25(35)7-4-8-26(36)37)28-27(18-5-2-1-3-6-18)21-15-20(31)13-14-22(21)32-29(28)38/h1-3,5-6,9-15,24H,4,7-8,16H2,(H,32,38)(H,36,37)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Negative allosteric modulation of recombinant rat GluN2C receptor expressed in Xenopus laevis oocytes by two-electrode voltage clamp method


J Med Chem 56: 6434-56 (2013)


Article DOI: 10.1021/jm400652r
BindingDB Entry DOI: 10.7270/Q26H4JTJ
More data for this
Ligand-Target Pair