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4 similar compounds to monomer 160731

Compile data set for download or QSAR
Wt: 309.4
BDBM99935
Wt: 295.3
BDBM99937
Wt: 309.4
BDBM99938
Wt: 186.2
BDBM50120717

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 99935,99937,99938,50120717   
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))
BDBM99935
PNG
(US8501729, 31)
Show SMILES Cn1cc2CCN([C@@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/m1/s1
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US Patent
1n/an/an/an/an/an/a7.5n/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...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM99938
PNG
(US8501729, 34)
Show SMILES Cn1cc2CCN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23
Show InChI InChI=1S/C19H23N3O/c1-20-11-14-7-10-22(17-12-21-8-5-13(17)6-9-21)19(23)15-3-2-4-16(20)18(14)15/h2-4,11,13,17H,5-10,12H2,1H3/t17-/m0/s1
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US Patent
8n/an/an/an/an/an/a7.5n/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...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50120717
PNG
(1,3,4,5-Tetrahydro-azepino[5,4,3-cd]indol-6-one | ...)
Show SMILES O=C1NCCc2c[nH]c3cccc1c23
Show InChI InChI=1S/C11H10N2O/c14-11-8-2-1-3-9-10(8)7(6-13-9)4-5-12-11/h1-3,6,13H,4-5H2,(H,12,14)
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Article
PubMed
38n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards human poly(ADP-ribose) polymerase 1 (PARP-1).


J Med Chem 45: 4961-74 (2002)


Article DOI: 10.1021/jm020259n
BindingDB Entry DOI: 10.7270/Q2T152ZP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM99937
PNG
(US8501729, 33)
Show SMILES O=C1N(CCc2c[nH]c3cccc1c23)[C@H]1CN2CCC1CC2
Show InChI InChI=1S/C18H21N3O/c22-18-14-2-1-3-15-17(14)13(10-19-15)6-9-21(18)16-11-20-7-4-12(16)5-8-20/h1-3,10,12,16,19H,4-9,11H2/t16-/m0/s1
PDB

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US Patent
49n/an/an/an/an/an/a7.5n/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...


US Patent US8501729 (2013)


BindingDB Entry DOI: 10.7270/Q2JW8CHV
More data for this
Ligand-Target Pair