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BDBM50120713 2-(4-tert-Butyl-phenyl)-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one::CHEMBL143949

SMILES: CC(C)(C)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23

InChI Key: InChIKey=GNXATSRRFRLQQA-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50120713   
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))
BDBM50120713
PNG
(2-(4-tert-Butyl-phenyl)-1,3,4,5-tetrahydro-azepino...)
Show SMILES CC(C)(C)c1ccc(cc1)-c1[nH]c2cccc3C(=O)NCCc1c23
Show InChI InChI=1S/C21H22N2O/c1-21(2,3)14-9-7-13(8-10-14)19-15-11-12-22-20(24)16-5-4-6-17(23-19)18(15)16/h4-10,23H,11-12H2,1-3H3,(H,22,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
29n/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