BindingDB logo
myBDB logout

null

SMILES: O=C1NCCn2c(CCc3ccccc3)cc3cccc1c23

InChI Key: InChIKey=UCEXQJSYUUWTQU-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50154758   
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))		BDBM50154758
PNG
(6-Phenethyl-3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi...)
Show SMILES O=C1NCCn2c(CCc3ccccc3)cc3cccc1c23
Show InChI InChI=1S/C19H18N2O/c22-19-17-8-4-7-15-13-16(21(18(15)17)12-11-20-19)10-9-14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
PubMed
 27n/an/an/an/an/an/an/an/a



Pfizer Global R&D--La Jolla Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme

J Med Chem 47: 5467-81 (2004)


Article DOI: 10.1021/jm030513r
BindingDB Entry DOI: 10.7270/Q2PK0FM4
More data for this
Ligand-Target Pair