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5 similar compounds to monomer 50014548

Wt: 309.4
BDBM160711
Wt: 309.4
BDBM160712
Wt: 309.4
BDBM160713
Wt: 295.3
BDBM50014547
Wt: 343.8
BDBM50014549

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 160711,160712,160713,50014547,50014549   
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 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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US Patent
0.200n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160711
PNG
(US9045501, 3)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1/C19H23N3O/c1-13-11-21-9-10-22(17-12-20-7-5-14(17)6-8-20)19(23)16-4-2-3-15(13)18(16)21/h2-4,11,14,17H,5-10,12H2,1H3/t17-/s2
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US Patent
5n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014547
PNG
(CHEMBL3261478 | US9045501, 1)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m0/s1
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68n/an/an/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Displacement of [9-methyl-3H]BRL-43694 from human 5-HT3A receptor after overnight incubation by scintillation proximity assay


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50014547
PNG
(CHEMBL3261478 | US9045501, 1)
Show SMILES O=C1N(CCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H21N3O/c22-18-15-3-1-2-14-6-9-20(17(14)15)10-11-21(18)16-12-19-7-4-13(16)5-8-19/h1-3,6,9,13,16H,4-5,7-8,10-12H2/t16-/m0/s1
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US Patent
74n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160713
PNG
(US9045501, 6)
Show SMILES O=C1N(CCCn2ccc3cccc1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1/C19H23N3O/c23-19-16-4-1-3-15-7-12-21(18(15)16)8-2-9-22(19)17-13-20-10-5-14(17)6-11-20/h1,3-4,7,12,14,17H,2,5-6,8-11,13H2/t17-/s2
PDB

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US Patent
205n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM160712
PNG
(US9045501, 5)
Show SMILES O=C1N(CCCn2ccc3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1/C19H23N3O/c23-19-16-4-1-3-15-7-12-21(18(15)16)8-2-9-22(19)17-13-20-10-5-14(17)6-11-20/h1,3-4,7,12,14,17H,2,5-6,8-11,13H2/t17-/s2
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US Patent
416n/an/an/an/an/an/an/an/a



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...


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50014549
PNG
(CHEMBL3261480 | US9045501, 4)
Show SMILES Cc1cn2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cc(Cl)cc1c23
Show InChI InChI=1S/C19H22ClN3O/c1-12-10-22-6-7-23(17-11-21-4-2-13(17)3-5-21)19(24)16-9-14(20)8-15(12)18(16)22/h8-10,13,17H,2-7,11H2,1H3/t17-/m1/s1
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MMDB

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n/an/a 8.80E+3n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 2578-81 (2014)

More data for this
Ligand-Target Pair