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BDBM50309925 3-oxo-2-(4-(piperidin-4-yl)phenyl)isoindoline-4-carboxamide::CHEMBL607848

SMILES: NC(=O)c1cccc2CN(C(=O)c12)c1ccc(cc1)C1CCNCC1

InChI Key: InChIKey=SVLUTWSLJSIAFX-UHFFFAOYSA-N

Data: 1 KI  1 EC50

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

Found 2 hits for monomerid = 50309925   
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))
BDBM50309925
PNG
(3-oxo-2-(4-(piperidin-4-yl)phenyl)isoindoline-4-ca...)
Show SMILES NC(=O)c1cccc2CN(C(=O)c12)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-3-1-2-15-12-23(20(25)18(15)17)16-6-4-13(5-7-16)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H2,21,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 by microplate scintillation counting


Bioorg Med Chem Lett 20: 1023-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.042
BindingDB Entry DOI: 10.7270/Q2G44QDX
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50309925
PNG
(3-oxo-2-(4-(piperidin-4-yl)phenyl)isoindoline-4-ca...)
Show SMILES NC(=O)c1cccc2CN(C(=O)c12)c1ccc(cc1)C1CCNCC1
Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-3-1-2-15-12-23(20(25)18(15)17)16-6-4-13(5-7-16)14-8-10-22-11-9-14/h1-7,14,22H,8-12H2,(H2,21,24)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human C41 cells


Bioorg Med Chem Lett 20: 1023-6 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.042
BindingDB Entry DOI: 10.7270/Q2G44QDX
More data for this
Ligand-Target Pair