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4 similar compounds to monomer 50047891

Compile data set for download or QSAR
Wt: 325.4
BDBM50042059
Wt: 311.3
BDBM50042065
Wt: 311.3
BDBM50047893
Wt: 352.4
BDBM50350162

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50042059,50042065,50047893,50350162   
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)
BDBM50042065
PNG
(4-Hydroxy-quinoline-3-carboxylic acid (8-methyl-8-...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
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1.5n/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)
BDBM50042059
PNG
(4-Hydroxy-2-methyl-quinoline-3-carboxylic acid (8-...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(C)nc2ccccc2c1O
Show InChI InChI=1S/C19H23N3O2/c1-11-17(18(23)15-5-3-4-6-16(15)20-11)19(24)21-12-9-13-7-8-14(10-12)22(13)2/h3-6,12-14H,7-10H2,1-2H3,(H,20,23)(H,21,24)
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7.20n/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)
BDBM50047893
PNG
(4-Hydroxy-quinoline-3-carboxylic acid (1-aza-bicyc...)
Show SMILES Oc1c(cnc2ccccc12)C(=O)NC1CCN2CCCC1C2
Show InChI InChI=1S/C18H21N3O2/c22-17-13-5-1-2-6-16(13)19-10-14(17)18(23)20-15-7-9-21-8-3-4-12(15)11-21/h1-2,5-6,10,12,15H,3-4,7-9,11H2,(H,19,22)(H,20,23)
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18n/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)
BDBM50042065
PNG
(4-Hydroxy-quinoline-3-carboxylic acid (8-methyl-8-...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1cnc2ccccc2c1O
Show InChI InChI=1S/C18H21N3O2/c1-21-12-6-7-13(21)9-11(8-12)20-18(23)15-10-19-16-5-3-2-4-14(16)17(15)22/h2-5,10-13H,6-9H2,1H3,(H,19,22)(H,20,23)
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100n/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
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350162
PNG
(CHEMBL1814469)
Show SMILES COc1cccc2c(O)c(cnc12)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H24N2O3/c1-26-17-4-2-3-15-18(17)22-11-16(19(15)24)20(25)23-21-8-12-5-13(9-21)7-14(6-12)10-21/h2-4,11-14H,5-10H2,1H3,(H,22,24)(H,23,25)
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3.44E+3n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350162
PNG
(CHEMBL1814469)
Show SMILES COc1cccc2c(O)c(cnc12)C(=O)NC12CC3CC(CC(C3)C1)C2
Show InChI InChI=1S/C21H24N2O3/c1-26-17-4-2-3-15-18(17)22-11-16(19(15)24)20(25)23-21-8-12-5-13(9-21)7-14(6-12)10-21/h2-4,11-14H,5-10H2,1H3,(H,22,24)(H,23,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair