BDBM50499826 CHEMBL3740722

SMILES: O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Sc2n[nH]c(=O)c3ccccc23)c1

InChI Key: InChIKey=UKJLVPWUIUIEEL-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50499826   

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))	BDBM50499826 (CHEMBL3740722) Show SMILES O=C(N1CCN(CC1)c1ncccc1C#N)c1cccc(Sc2n[nH]c(=O)c3ccccc23)c1 Show InChI InChI=1S/C25H20N6O2S/c26-16-18-6-4-10-27-22(18)30-11-13-31(14-12-30)25(33)17-5-3-7-19(15-17)34-24-21-9-2-1-8-20(21)23(32)28-29-24/h1-10,15H,11-14H2,(H,28,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	311	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PARP in human HeLa cells assessed as induction of centrosome declustering after 48 hrs by DAPI-staining based image analysis				Bioorg Med Chem Lett 25: 5743-7 (2015) Article DOI: 10.1016/j.bmcl.2015.10.079 BindingDB Entry DOI: 10.7270/Q2WH2T0J
					More data for this Ligand-Target Pair