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BDBM50309916 3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide::3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide::CHEMBL597890

SMILES: NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12

InChI Key: InChIKey=KISOFIKBJFDVKM-UHFFFAOYSA-N

Data: 1 KI  1 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50309916
PNG
(3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
Show InChI InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
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PC sid
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Similars

PDB
Article
PubMed
33n/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
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50309916
PNG
(3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...)
Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12
Show InChI InChI=1S/C14H17N3O2/c15-13(18)11-3-1-2-9-8-17(14(19)12(9)11)10-4-6-16-7-5-10/h1-3,10,16H,4-8H2,(H2,15,18)
PDB
MMDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/an/an/a 51n/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
3D
3D Structure (crystal)