BDBM191215 US9181266, 84

SMILES: CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1

InChI Key: InChIKey=XAQYIMOAZYNCLU-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 = 191215   

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))	BDBM191215 (US9181266, 84) Show SMILES CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H32N4O5/c1-2-12-34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)15-23(30)26-14-22-27-21-9-13-33-16-20(21)25(32)28-22/h3-6,18H,2,7-16H2,1H3,(H,26,30)(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	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))	BDBM191215 (US9181266, 84) Show SMILES CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H32N4O5/c1-2-12-34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)15-23(30)26-14-22-27-21-9-13-33-16-20(21)25(32)28-22/h3-6,18H,2,7-16H2,1H3,(H,26,30)(H,27,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.13E+3	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))	BDBM191215 (US9181266, 84) Show SMILES CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H32N4O5/c1-2-12-34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)15-23(30)26-14-22-27-21-9-13-33-16-20(21)25(32)28-22/h3-6,18H,2,7-16H2,1H3,(H,26,30)(H,27,28,32)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.80E+3	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))	BDBM191215 (US9181266, 84) Show SMILES CCCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1 Show InChI InChI=1S/C25H32N4O5/c1-2-12-34-19-5-3-17(4-6-19)24(31)18-7-10-29(11-8-18)15-23(30)26-14-22-27-21-9-13-33-16-20(21)25(32)28-22/h3-6,18H,2,7-16H2,1H3,(H,26,30)(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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