BDBM50020615 CHEMBL3290465

SMILES: CC1Cc2c(O1)c(ccc2N)C(N)=O

InChI Key: InChIKey=CDRFUMTWVMQNON-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50020615   

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 1 (Homo sapiens (Human))	BDBM50020615 (CHEMBL3290465) Show SMILES CC1Cc2c(O1)c(ccc2N)C(N)=O Show InChI InChI=1S/C10H12N2O2/c1-5-4-7-8(11)3-2-6(10(12)13)9(7)14-5/h2-3,5H,4,11H2,1H3,(H2,12,13)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50020615 (CHEMBL3290465) Show SMILES CC1Cc2c(O1)c(ccc2N)C(N)=O Show InChI InChI=1S/C10H12N2O2/c1-5-4-7-8(11)3-2-6(10(12)13)9(7)14-5/h2-3,5H,4,11H2,1H3,(H2,12,13)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50020615 (CHEMBL3290465) Show SMILES CC1Cc2c(O1)c(ccc2N)C(N)=O Show InChI InChI=1S/C10H12N2O2/c1-5-4-7-8(11)3-2-6(10(12)13)9(7)14-5/h2-3,5H,4,11H2,1H3,(H2,12,13)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry				J Med Chem 57: 5579-601 (2014) Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS
					More data for this Ligand-Target Pair