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SMILES: O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CCCNC1

InChI Key: InChIKey=UZXRZQIHGCMFDV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50445859   
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))		BDBM50445859
PNG
(CHEMBL3105407)
Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)C1CCCNC1
Show InChI InChI=1S/C21H27N5O3/c27-19(8-7-18-23-17-6-2-1-5-16(17)20(28)24-18)25-10-12-26(13-11-25)21(29)15-4-3-9-22-14-15/h1-2,5-6,15,22H,3-4,7-14H2,(H,23,24,28)
PDB
MMDB

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay

Bioorg Med Chem Lett 24: 462-6 (2014)


Article DOI: 10.1016/j.bmcl.2013.12.048
BindingDB Entry DOI: 10.7270/Q26H4JV0
More data for this
Ligand-Target Pair