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BDBM50440049 CHEMBL2425974

SMILES: COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12

InChI Key: InChIKey=NTOHDRUSOCIMDE-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50440049   
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))
BDBM50440049
PNG
(CHEMBL2425974)
Show SMILES COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-6-4-5-18(15-20)27-21-7-2-3-8-22(21)31-29(37)28(27)23-16-24(17-9-11-19(30)12-10-17)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+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))
BDBM50440049
PNG
(CHEMBL2425974)
Show SMILES COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-6-4-5-18(15-20)27-21-7-2-3-8-22(21)31-29(37)28(27)23-16-24(17-9-11-19(30)12-10-17)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.10E+5n/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))
BDBM50440049
PNG
(CHEMBL2425974)
Show SMILES COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-6-4-5-18(15-20)27-21-7-2-3-8-22(21)31-29(37)28(27)23-16-24(17-9-11-19(30)12-10-17)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.52E+5n/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))
BDBM50440049
PNG
(CHEMBL2425974)
Show SMILES COc1cccc(c1)-c1c(C2=NN(C(C2)c2ccc(Cl)cc2)C(=O)CCC(O)=O)c(=O)[nH]c2ccccc12 |t:11|
Show InChI InChI=1S/C29H24ClN3O5/c1-38-20-6-4-5-18(15-20)27-21-7-2-3-8-22(21)31-29(37)28(27)23-16-24(17-9-11-19(30)12-10-17)33(32-23)25(34)13-14-26(35)36/h2-12,15,24H,13-14,16H2,1H3,(H,31,37)(H,35,36)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.80E+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