BDBM191217 US9181266, 86

SMILES: O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1

InChI Key: InChIKey=JJHZDQRUCBOSIK-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 = 191217   

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))	BDBM191217 (US9181266, 86) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	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))	BDBM191217 (US9181266, 86) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	885	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))	BDBM191217 (US9181266, 86) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.05E+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))	BDBM191217 (US9181266, 86) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCC2CCC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-14-24-29-23-10-13-35-17-22(23)27(34)30-24)15-31-11-8-20(9-12-31)26(33)19-4-6-21(7-5-19)36-16-18-2-1-3-18/h4-7,18,20H,1-3,8-17H2,(H,28,32)(H,29,30,34)	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