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BDBM50120728 2-(4-Methoxy-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one::CHEMBL144024

SMILES: COc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23

InChI Key: InChIKey=ALIYTAWXHHSPGS-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120728   
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))
BDBM50120728
PNG
(2-(4-Methoxy-phenyl)-1,3,4,5-tetrahydro-azepino[5,...)
Show SMILES COc1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23
Show InChI InChI=1S/C18H16N2O2/c1-22-12-7-5-11(6-8-12)17-13-9-10-19-18(21)14-3-2-4-15(20-17)16(13)14/h2-8,20H,9-10H2,1H3,(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
6n/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