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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 2B' and Ligand = 'BDBM409602'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM409602
PNG
(2-[6-(3-Chloro-4-fluoro-phenyl)pyrrolo[3,2-b]pyrid...)
Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C17H15ClFN3O/c1-21(2)17(23)10-22-6-5-15-16(22)8-12(9-20-15)11-3-4-14(19)13(18)7-11/h3-9H,10H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 25n/an/an/an/an/an/an/an/a



Janssen Research & Development, LLC

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-(azetidin-1-yl)-2-(6-(4-fluoro-3-methylphenyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanone from rat adult cortex GluN2B receptor me...

ACS Med Chem Lett 10: 261-266 (2019)


Article DOI: 10.1021/acsmedchemlett.8b00542
BindingDB Entry DOI: 10.7270/Q2B85CG6
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 2B


(Homo sapiens (Human))		BDBM409602
PNG
(2-[6-(3-Chloro-4-fluoro-phenyl)pyrrolo[3,2-b]pyrid...)
Show SMILES CN(C)C(=O)Cn1ccc2ncc(cc12)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C17H15ClFN3O/c1-21(2)17(23)10-22-6-5-15-16(22)8-12(9-20-15)11-3-4-14(19)13(18)7-11/h3-9H,10H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.8n/an/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
The assay depends on the binding of a tracer to the GluN2B subunit-containing NMDA receptors and the ability of the test compounds to displace such b...

US Patent US10377753 (2019)


BindingDB Entry DOI: 10.7270/Q2CJ8GVK
More data for this
Ligand-Target Pair