BDBM50094927 CHEMBL3589283

SMILES: CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=QDFBKHZKWYRNJE-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 = 50094927   

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 tankyrase-2 (Homo sapiens (Human))	BDBM50094927 (CHEMBL3589283) Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS2 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50094927 (CHEMBL3589283) Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human PARP1				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50094927 (CHEMBL3589283) Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human TNKS1 catalytic activity				Bioorg Med Chem 23: 3013-32 (2015) Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072
					More data for this Ligand-Target Pair