BDBM27498 10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaene-2,4-dione::4-ANI::4-Amino-1,8-naphthalimide::CHEMBL338790

SMILES: Nc1ccc2C(=O)NC(=O)c3cccc1c23

InChI Key: InChIKey=SSMIFVHARFVINF-UHFFFAOYSA-N

Data: 1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 27498   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against human PARP1 expressed in PC12 cells				Bioorg Med Chem Lett 16: 938-42 (2006) Article DOI: 10.1016/j.bmcl.2005.10.099 BindingDB Entry DOI: 10.7270/Q2222TB3
					More data for this Ligand-Target Pair				3D Structure (crystal)
CDGSH iron-sulfur domain-containing protein 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
West Virginia University Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...				Bioorg Med Chem Lett 26: 5350-5353 (2016) Article DOI: 10.1016/j.bmcl.2016.09.009 BindingDB Entry DOI: 10.7270/Q2ZP483C
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27498 (10-amino-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13...) Show SMILES Nc1ccc2C(=O)NC(=O)c3cccc1c23 Show InChI InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Università di Perugia Curated by ChEMBL					Assay Description The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition				J Med Chem 44: 3786-94 (2001) BindingDB Entry DOI: 10.7270/Q2B857DN
					More data for this Ligand-Target Pair				3D Structure (crystal)