BDBM50499830 CHEMBL3740177

SMILES: C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C1CCC1

InChI Key: InChIKey=JSKAMAPIYOMNES-HNNXBMFYSA-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 = 50499830   

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))	BDBM50499830 (CHEMBL3740177) Show SMILES C[C@H]1Cn2c(CN1C(=O)c1cccc(c1)C(F)(F)c1n[nH]c(=O)c3ccccc13)nnc2C1CCC1 |r| Show InChI InChI=1S/C26H24F2N6O2/c1-15-13-34-21(29-31-23(34)16-6-4-7-16)14-33(15)25(36)17-8-5-9-18(12-17)26(27,28)22-19-10-2-3-11-20(19)24(35)32-30-22/h2-3,5,8-12,15-16H,4,6-7,13-14H2,1H3,(H,32,35)/t15-/m0/s1	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	49	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
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