BDBM191153 US9181266, 16

SMILES: COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1

InChI Key: InChIKey=HXVFMRKSTGSLPO-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 = 191153   

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))	BDBM191153 (US9181266, 16) Show SMILES COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN4O5/c1-39-24-8-2-20(3-9-24)16-35(17-27-32-26-12-15-40-19-25(26)30(38)33-27)28(36)18-34-13-10-22(11-14-34)29(37)21-4-6-23(31)7-5-21/h2-9,22H,10-19H2,1H3,(H,32,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	66	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))	BDBM191153 (US9181266, 16) Show SMILES COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN4O5/c1-39-24-8-2-20(3-9-24)16-35(17-27-32-26-12-15-40-19-25(26)30(38)33-27)28(36)18-34-13-10-22(11-14-34)29(37)21-4-6-23(31)7-5-21/h2-9,22H,10-19H2,1H3,(H,32,33,38)	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))	BDBM191153 (US9181266, 16) Show SMILES COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN4O5/c1-39-24-8-2-20(3-9-24)16-35(17-27-32-26-12-15-40-19-25(26)30(38)33-27)28(36)18-34-13-10-22(11-14-34)29(37)21-4-6-23(31)7-5-21/h2-9,22H,10-19H2,1H3,(H,32,33,38)	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))	BDBM191153 (US9181266, 16) Show SMILES COc1ccc(CN(Cc2nc3CCOCc3c(=O)[nH]2)C(=O)CN2CCC(CC2)C(=O)c2ccc(F)cc2)cc1 Show InChI InChI=1S/C30H33FN4O5/c1-39-24-8-2-20(3-9-24)16-35(17-27-32-26-12-15-40-19-25(26)30(38)33-27)28(36)18-34-13-10-22(11-14-34)29(37)21-4-6-23(31)7-5-21/h2-9,22H,10-19H2,1H3,(H,32,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	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