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SMILES: c1ccncc1.[H][C@@]12CC\C(=C\C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O

InChI Key: InChIKey=DNTYKQUGRFNXCA-YSMDJVHFSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498432   
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 1/2B


(Homo sapiens (Human))		BDBM50498432
PNG
(CHEMBL3594113)
Show SMILES c1ccncc1.[H][C@@]12CC\C(=C\C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](CC[C@]12C)OS(O)(=O)=O |r|
Show InChI InChI=1S/C21H34O4S.C5H5N/c1-4-14-6-8-18-17-7-5-15-13-16(25-26(22,23)24)9-11-21(15,3)19(17)10-12-20(14,18)2;1-2-4-6-5-3-1/h4,15-19H,5-13H2,1-3H3,(H,22,23,24);1-5H/b14-4-;/t15-,16-,17+,18+,19+,20-,21+;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Academy of Sciences of the Czech Republic v.v.i.

Curated by ChEMBL


Assay Description
Inhibition of recombinant GluN1/GluN2B receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of glutamate-evoked current by whol...

J Med Chem 58: 5950-66 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00570
BindingDB Entry DOI: 10.7270/Q2959MKM
More data for this
Ligand-Target Pair