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BDBM50440056 CHEMBL2333944

SMILES: Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1

InChI Key: InChIKey=MVYNQMRZRULRIE-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50440056   
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 4


(Homo sapiens (Human))
BDBM50440056
PNG
(CHEMBL2333944)
Show SMILES Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of NMDA GluN2D receptor (unknown origin)


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


(Homo sapiens (Human))
BDBM50440056
PNG
(CHEMBL2333944)
Show SMILES Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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PubMed
n/an/a 1.13E+5n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Negative allosteric modulation of GluN2B receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced chann...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2C


(Homo sapiens (Human))
BDBM50440056
PNG
(CHEMBL2333944)
Show SMILES Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Negative allosteric modulation of GluN2C receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced chann...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor NMDA 1/2D


(Homo sapiens (Human))
BDBM50440056
PNG
(CHEMBL2333944)
Show SMILES Cc1ccc2[nH]c(=O)c(C3=NN(C(C3)c3ccc(Br)cc3)C(=O)CCC(O)=O)c(-c3ccccc3)c2c1 |t:9|
Show InChI InChI=1S/C29H24BrN3O4/c1-17-7-12-22-21(15-17)27(19-5-3-2-4-6-19)28(29(37)31-22)23-16-24(18-8-10-20(30)11-9-18)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



University of Bristol

Curated by ChEMBL


Assay Description
Negative allosteric modulation of GluN2D receptor (unknown origin) expressed in xenopus laevis oocytes assessed as reduction in glycine-induced chann...


J Med Chem 62: 3-23 (2019)


Article DOI: 10.1021/acs.jmedchem.7b01640
More data for this
Ligand-Target Pair