BindingDB logo
myBDB logout

null

SMILES: c1ccncc1.[H][C@]12CC[C@@]3([H])[C@]4([H])CCCC[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O

InChI Key: InChIKey=WKPDYEGKAZHZGR-NTBLVJERSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498437   
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))		BDBM50498437
PNG
(CHEMBL3594115)
Show SMILES c1ccncc1.[H][C@]12CC[C@@]3([H])[C@]4([H])CCCC[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O |r|
Show InChI InChI=1S/C20H34O4S.C5H5N/c1-19-10-4-3-5-17(19)16-7-6-14-13-15(24-25(21,22)23)8-12-20(14,2)18(16)9-11-19;1-2-4-6-5-3-1/h14-18H,3-13H2,1-2H3,(H,21,22,23);1-5H/t14-,15-,16+,17+,18+,19+,20+;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/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