BDBM191220 US9181266, 89

SMILES: O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1

InChI Key: InChIKey=WFJABTXVQUHYJP-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 = 191220   

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))	BDBM191220 (US9181266, 89) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-15-24-29-23-10-13-35-17-22(23)27(34)30-24)16-31-11-7-20(8-12-31)26(33)19-3-5-21(6-4-19)36-14-9-18-1-2-18/h3-6,18,20H,1-2,7-17H2,(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	21	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))	BDBM191220 (US9181266, 89) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-15-24-29-23-10-13-35-17-22(23)27(34)30-24)16-31-11-7-20(8-12-31)26(33)19-3-5-21(6-4-19)36-14-9-18-1-2-18/h3-6,18,20H,1-2,7-17H2,(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	920	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))	BDBM191220 (US9181266, 89) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-15-24-29-23-10-13-35-17-22(23)27(34)30-24)16-31-11-7-20(8-12-31)26(33)19-3-5-21(6-4-19)36-14-9-18-1-2-18/h3-6,18,20H,1-2,7-17H2,(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	1.75E+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))	BDBM191220 (US9181266, 89) Show SMILES O=C(CN1CCC(CC1)C(=O)c1ccc(OCCC2CC2)cc1)NCc1nc2CCOCc2c(=O)[nH]1 Show InChI InChI=1S/C27H34N4O5/c32-25(28-15-24-29-23-10-13-35-17-22(23)27(34)30-24)16-31-11-7-20(8-12-31)26(33)19-3-5-21(6-4-19)36-14-9-18-1-2-18/h3-6,18,20H,1-2,7-17H2,(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