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BDBM50295201 (S)-2-(4-(octahydropyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl)pyrazolo[1,5-a]quinazolin-5(4H)-one::CHEMBL563107

SMILES: O=C(N1CCN2CCC[C@H]2C1)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1

InChI Key: InChIKey=UMAFOCZZSDRYKR-LGWFVXIRNA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50295201   
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))
BDBM50295201
PNG
((S)-2-(4-(octahydropyrrolo[1,2-a]pyrazine-2-carbon...)
Show SMILES O=C(N1CCN2CCC[C@H]2C1)c1ccc(cc1)-c1cc2[nH]c(=O)c3ccccc3n2n1
Show InChI InChI=1/C24H23N5O2/c30-23-19-5-1-2-6-21(19)29-22(25-23)14-20(26-29)16-7-9-17(10-8-16)24(31)28-13-12-27-11-3-4-18(27)15-28/h1-2,5-10,14,18H,3-4,11-13,15H2,(H,25,30)/t18-/s2
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by scintillation proximity assay


Bioorg Med Chem Lett 19: 4196-200 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.113
BindingDB Entry DOI: 10.7270/Q2MG7PHP
More data for this
Ligand-Target Pair