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4 similar compounds to monomer 50042713

Compile data set for download or QSAR
Wt: 293.3
BDBM50042715
Wt: 307.3
BDBM50042720
Wt: 279.3
BDBM50334454
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Wt: 286.4
BDBM50042060
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50042715,50042720,50334454,50042060   
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
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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US Patent
0.0600 -13.9n/an/an/an/an/a7.525



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proxim...


US Patent US9045501 (2015)


BindingDB Entry DOI: 10.7270/Q2MK6BN0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50334454
PNG
(CHEMBL1643895 | Ramosetron | US9045501, Ramosetron)
Show SMILES Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1
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Article
PubMed
0.0600n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT3A receptor


Bioorg Med Chem Lett 21: 58-61 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.080
BindingDB Entry DOI: 10.7270/Q2474B4Q
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042715
PNG
(1-(5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCCc3cccc1c23
Show InChI InChI=1S/C18H19N3O/c1-12-16(20-11-19-12)7-8-17(22)15-10-21-9-3-5-13-4-2-6-14(15)18(13)21/h2,4,6,10-11H,3,5,7-9H2,1H3,(H,19,20)
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Article
PubMed
0.0750n/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 histamine H1 receptor using [3H]- mepyramine 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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042720
PNG
(3-(5-Methyl-1H-imidazol-4-yl)-1-(4,5,6,7-tetrahydr...)
Show SMILES Cc1nc[nH]c1CCC(=O)c1cn2CCCCc3cccc1c23
Show InChI InChI=1S/C19H21N3O/c1-13-17(21-12-20-13)8-9-18(23)16-11-22-10-3-2-5-14-6-4-7-15(16)19(14)22/h4,6-7,11-12H,2-3,5,8-10H2,1H3,(H,20,21)
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Article
PubMed
0.330n/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 muscarine M1 receptor using [3H]- pirenzepine 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
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50042060
PNG
(CHEMBL4094890)
Show SMILES CC1CCC(CC1)C(=O)NCC1NCCc2ccccc12
Show InChI InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)
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Article
PubMed
n/an/an/an/a 1.53E+3n/an/an/an/a



National Health Research Institutes

Curated by ChEMBL


Assay Description
Agonist activity at human MOR expressed in CHO-K1 cells co-expressing Galpha 15 assessed as increase in intracellular calcium release incubated for 1...


Eur J Med Chem 126: 202-217 (2017)


Article DOI: 10.1016/j.ejmech.2016.09.003
More data for this
Ligand-Target Pair