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SMILES: Fc1ccc(Cc2c[nH]c(=O)c3cccn23)cc1C(=O)N1CCCNCC1

InChI Key: InChIKey=PUAVIRQWDQMZBS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50309395   
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))		BDBM50309395
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pyr...)
Show SMILES Fc1ccc(Cc2c[nH]c(=O)c3cccn23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C20H21FN4O2/c21-17-5-4-14(11-15-13-23-19(26)18-3-1-9-25(15)18)12-16(17)20(27)24-8-2-6-22-7-10-24/h1,3-5,9,12-13,22H,2,6-8,10-11H2,(H,23,26)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



IRBM/Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by topcount microplate scintillation counter

Bioorg Med Chem Lett 20: 1094-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.026
BindingDB Entry DOI: 10.7270/Q2FB531P
More data for this
Ligand-Target Pair