BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50309916
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50309916 (3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...) Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12 Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50309916 (3-oxo-2-(piperidin-4-yl)isoindoline-4-carboxamide ...) Show SMILES NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12 Show InChI	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/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
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)