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BDBM50451503 CHEMBL12513

SMILES: Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1

InChI Key: InChIKey=BOHNVYNMBZWQNB-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50451503   
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
GluN1/GluN2B NMDA receptor


(Homo sapiens (Human))
BDBM50451503
PNG
(CHEMBL12513)
Show SMILES Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus laevis oocyte expressing 1A/2A heteromeric human NMDA (hNMDA) receptor


Bioorg Med Chem Lett 12: 1099-102 (2002)


BindingDB Entry DOI: 10.7270/Q24B31V2
More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50451503
PNG
(CHEMBL12513)
Show SMILES Oc1nc2cc(cc(CP(O)(O)=O)c2nc1O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN2O5P/c16-11-3-1-8(2-4-11)9-5-10(7-24(21,22)23)13-12(6-9)17-14(19)15(20)18-13/h1-6H,7H2,(H,17,19)(H,18,20)(H2,21,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Xenopus laevis oocyte expressing 1A/2B heteromeric human NMDA (hNMDA) receptor


Bioorg Med Chem Lett 12: 1099-102 (2002)


BindingDB Entry DOI: 10.7270/Q24B31V2
More data for this
Ligand-Target Pair