BDBM259557 US9505749, 68

SMILES: O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N

InChI Key: InChIKey=RGSSADMOZOOPCT-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 = 259557   

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
Tankyrase-1 (Homo sapiens (Human))	BDBM259557 (US9505749, 68) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.783	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM259557 (US9505749, 68) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM259557 (US9505749, 68) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description PARP1 biochemical assay was purchased as a kit from Trevigen (cat.#4676-096-K) and used per manufacturers recommendations.PARP2 biochemical assay was...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Tankyrase-2 (Homo sapiens (Human))	BDBM259557 (US9505749, 68) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.292	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair