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4 similar compounds to monomer 50042066

Compile data set for download or QSAR
Wt: 326.3
BDBM50047887
Wt: 296.3
BDBM50047894
Wt: 282.3
BDBM50415200
Wt: 296.3
BDBM50415211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50047887,50047894,50415200,50415211   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50047887
PNG
(4-Hydroxy-2-methyl-quinoline-3-carboxylic acid 8-m...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1c(C)nc2ccccc2c1O
Show InChI InChI=1S/C19H22N2O3/c1-11-17(18(22)15-5-3-4-6-16(15)20-11)19(23)24-14-9-12-7-8-13(10-14)21(12)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,22)
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Article
PubMed
58n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


Article DOI: 10.1021/jm00057a011
BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50047894
PNG
(CHEMBL157689 | Quinoline-3-carboxylic acid 8-methy...)
Show SMILES CN1C2CCC1CC(C2)OC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H20N2O2/c1-20-14-6-7-15(20)10-16(9-14)22-18(21)13-8-12-4-2-3-5-17(12)19-11-13/h2-5,8,11,14-16H,6-7,9-10H2,1H3
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PC sid
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PubMed
67n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


Article DOI: 10.1021/jm00057a011
BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50415211
PNG
(CHEMBL595791)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H20N2O2/c1-20-14-6-7-15(20)10-16(9-14)22-18(21)13-8-12-4-2-3-5-17(12)19-11-13/h2-5,8,11,14-16H,6-7,9-10H2,1H3/t14-,15-/m1/s1
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n/an/a 72.4n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50415211
PNG
(CHEMBL595791)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H20N2O2/c1-20-14-6-7-15(20)10-16(9-14)22-18(21)13-8-12-4-2-3-5-17(12)19-11-13/h2-5,8,11,14-16H,6-7,9-10H2,1H3/t14-,15-/m1/s1
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n/an/a 1.91E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50415211
PNG
(CHEMBL595791)
Show SMILES CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)c1cnc2ccccc2c1
Show InChI InChI=1S/C18H20N2O2/c1-20-14-6-7-15(20)10-16(9-14)22-18(21)13-8-12-4-2-3-5-17(12)19-11-13/h2-5,8,11,14-16H,6-7,9-10H2,1H3/t14-,15-/m1/s1
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Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair
Glycine, non-strychnine


(RAT)
BDBM50415200
PNG
(CHEMBL610170)
Show SMILES O=C(OC1C[C@H]2CC[C@H](C1)N2)c1cnc2ccccc2c1
Show InChI InChI=1S/C17H18N2O2/c20-17(21-15-8-13-5-6-14(9-15)19-13)12-7-11-3-1-2-4-16(11)18-10-12/h1-4,7,10,13-15,19H,5-6,8-9H2/t13-,14-/m1/s1
PDB

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PC cid
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Article
PubMed
n/an/a 166n/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillation spectrometry


Bioorg Med Chem 17: 6872-8 (2009)


Article DOI: 10.1016/j.bmc.2009.08.029
BindingDB Entry DOI: 10.7270/Q2DJ5FQJ
More data for this
Ligand-Target Pair