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3 similar compounds to monomer 160728

Compile data set for download or QSAR
Wt: 324.4
BDBM160722
Wt: 372.4
BDBM160726
Wt: 297.7
BDBM50122774

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 160722,160726,50122774   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (human))
BDBM50122774
PNG
(1-(2-Chloro-phenyl)-8,9-dihydro-7H-2,7,9a-triaza-b...)
Show SMILES Clc1ccccc1-c1nc2cccc3C(=O)NCCn1c23
Show InChI InChI=1S/C16H12ClN3O/c17-12-6-2-1-4-10(12)15-19-13-7-3-5-11-14(13)20(15)9-8-18-16(11)21/h1-7H,8-9H2,(H,18,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human full length Poly (ADP-ribose) polymerase 1


J Med Chem 46: 210-3 (2003)


Article DOI: 10.1021/jm0255769
BindingDB Entry DOI: 10.7270/Q2154GDB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM160722
PNG
(US9045501, 17)
Show SMILES CCc1nc2cccc3C(=O)N(CCn1c23)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C19H24N4O/c1-2-17-20-15-5-3-4-14-18(15)23(17)11-10-22(19(14)24)16-12-21-8-6-13(16)7-9-21/h3-5,13,16H,2,6-12H2,1H3/t16-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
130 -9.39n/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))
BDBM160726
PNG
(US9045501, 21)
Show SMILES O=C1N(CCn2c(nc3cccc1c23)-c1ccccc1)[C@@H]1CN2CCC1CC2
Show InChI InChI=1S/C23H24N4O/c28-23-18-7-4-8-19-21(18)27(22(24-19)17-5-2-1-3-6-17)14-13-26(23)20-15-25-11-9-16(20)10-12-25/h1-8,16,20H,9-15H2/t20-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
406 -8.71n/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