BDBM191216 US9181266, 85

SMILES: O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1

InChI Key: InChIKey=GXKPLMIZTNQPMI-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 = 191216   

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))	BDBM191216 (US9181266, 85) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)	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))	BDBM191216 (US9181266, 85) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.97E+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))	BDBM191216 (US9181266, 85) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.50E+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))	BDBM191216 (US9181266, 85) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C26H32N4O5/c31-24(27-13-23-28-22-9-12-34-16-21(22)26(33)29-23)14-30-10-7-19(8-11-30)25(32)18-3-5-20(6-4-18)35-15-17-1-2-17/h3-6,17,19H,1-2,7-16H2,(H,27,31)(H,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	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