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Compile Data Set for Download or QSAR

Found 5 hits of affinity data for UniProtKB/TrEMBL: Q61603   
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
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM85330
PNG
(CAS_68647 | NSC_68647 | ONDANSETRON | Ondansetron ...)
Show SMILES Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3
PDB
MMDB

KEGG

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KEGG
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
The binding affinity of the compound was measured on glycine receptor using [3H]- strychnine as radioligand.


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM50231569
PNG
(CILANSETRON | Cilansetron | KC-9946)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13
Show InChI InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1
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MMDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Solvay Duphar B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]- GR-65,630 binding to 5-hydroxytryptamine 3 receptor in rat brain cortical membranes


J Med Chem 36: 3693-9 (1994)


Article DOI: 10.1021/jm00075a026
BindingDB Entry DOI: 10.7270/Q2NS0SZH
More data for this
Ligand-Target Pair
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM50108659
PNG
(1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...)
Show SMILES COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C20H23NO2/c1-22-19-17-9-5-6-10-18(17)20(23-19)11-13-21(14-12-20)15-16-7-3-2-4-8-16/h2-10,19H,11-15H2,1H3
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MDL 105519 binding to NMDA, glycine receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM50108653
PNG
(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1
Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3
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PC cid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MDL 105519 binding to NMDA, glycine receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair
Glycine receptor alpha-4 chain


(Mus musculus)
BDBM50108654
PNG
(1-[3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-...)
Show SMILES COC1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1
Show InChI InChI=1S/C23H29NO2/c1-25-22-18-20-11-5-6-12-21(20)23(26-22)13-16-24(17-14-23)15-7-10-19-8-3-2-4-9-19/h2-6,8-9,11-12,22H,7,10,13-18H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pharmazeutisches Institut der Universität Freiburg

Curated by ChEMBL


Assay Description
Inhibition of MDL 105519 binding to NMDA, glycine receptor


J Med Chem 45: 438-48 (2002)


Article DOI: 10.1021/jm010992z
BindingDB Entry DOI: 10.7270/Q2VT1RDH
More data for this
Ligand-Target Pair