BDBM191181 US9181266, 50

SMILES: COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1

InChI Key: InChIKey=WDZBHMSPANOWRC-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 191181   

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-1 (Homo sapiens (Human))	BDBM191181 (US9181266, 50) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H30F2N4O5/c1-35-18-4-2-16(3-5-18)24(33)17-6-9-30(10-7-17)14-23(32)31(12-21(26)27)13-22-28-20-8-11-36-15-19(20)25(34)29-22/h2-5,17,21H,6-15H2,1H3,(H,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM191181 (US9181266, 50) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H30F2N4O5/c1-35-18-4-2-16(3-5-18)24(33)17-6-9-30(10-7-17)14-23(32)31(12-21(26)27)13-22-28-20-8-11-36-15-19(20)25(34)29-22/h2-5,17,21H,6-15H2,1H3,(H,28,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM191181 (US9181266, 50) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H30F2N4O5/c1-35-18-4-2-16(3-5-18)24(33)17-6-9-30(10-7-17)14-23(32)31(12-21(26)27)13-22-28-20-8-11-36-15-19(20)25(34)29-22/h2-5,17,21H,6-15H2,1H3,(H,28,29,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.90E+4	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM191181 (US9181266, 50) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC(F)F)Cc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H30F2N4O5/c1-35-18-4-2-16(3-5-18)24(33)17-6-9-30(10-7-17)14-23(32)31(12-21(26)27)13-22-28-20-8-11-36-15-19(20)25(34)29-22/h2-5,17,21H,6-15H2,1H3,(H,28,29,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
NOVARTIS AG US Patent					Assay Description The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...				US Patent US9181266 (2015) BindingDB Entry DOI: 10.7270/Q20P0XTF
					More data for this Ligand-Target Pair