BDBM50397960 CHEMBL2179989

SMILES: NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1

InChI Key: InChIKey=GNFSYBNDPOBXLJ-PLNGDYQASA-N

Data: 7 IC50  1 Kd

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 8 hits for monomerid = 50397960   

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
Poly [ADP-ribose] polymerase 15 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	7.60E+3	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity at human recombinant ARTD8 expressed in Escherichia coli BL21 (DE3) R3 pRARE cells by isothermal titration calorimetry				J Med Chem 55: 7706-18 (2012) Article DOI: 10.1021/jm300746d BindingDB Entry DOI: 10.7270/Q2GT5P9F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 10 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD10 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosyl...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 15 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged human recombinant ARTD7 catalytic domain (459 to 656 amino acids) expressed in Escherichia coli BL21(DE3) assessed...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged full length human recombinant ARTD1 expressed in Escherichia coli BL21(DE3) assessed as Inhibition of ADP-ribosylt...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 14 (Homo sapiens (Human))	BDBM50397960 (CHEMBL2179989) Show SMILES NC(=O)c1cccc(NC(=O)\C=C/C(O)=O)c1 Show InChI InChI=1S/C11H10N2O4/c12-11(17)7-2-1-3-8(6-7)13-9(14)4-5-10(15)16/h1-6H,(H2,12,17)(H,13,14)(H,15,16)/b5-4-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Karolinska Institutet Curated by ChEMBL					Assay Description Inhibition of hexahistidine-tagged human recombinant ARTD8 catalytic domain (1611 to 1801 amino acids) expressed in Escherichia coli BL21(DE3) assess...				Eur J Med Chem 95: 546-51 (2015) Article DOI: 10.1016/j.ejmech.2015.03.067 BindingDB Entry DOI: 10.7270/Q23J3FPJ
					More data for this Ligand-Target Pair				3D Structure (crystal)