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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Glutamate receptor ionotropic, NMDA 1' and Ligand = 'BDBM50091635'   
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 1


(Homo sapiens (Human))
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.10n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2AB NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2A NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, NMDA 1


(Homo sapiens (Human))
BDBM50091635
PNG
(5-{3-[4-(3-Fluoro-benzyl)-piperidin-1-yl]-prop-1-y...)
Show SMILES Fc1cccc(CC2CCN(CC#Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
Show InChI InChI=1S/C22H22FN3O/c23-19-5-1-3-18(14-19)13-17-8-11-26(12-9-17)10-2-4-16-6-7-20-21(15-16)25-22(27)24-20/h1,3,5-7,14-15,17H,8-13H2,(H2,24,25,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



CoCensys, Inc.

Curated by ChEMBL


Assay Description
Concentration required for 50% Inhibition of responses at cloned NR1A/2C NMDA expressed in Xenopus oocytes


J Med Chem 43: 3408-19 (2000)


BindingDB Entry DOI: 10.7270/Q2VH5N26
More data for this
Ligand-Target Pair