BDBM259519 US9505749, 30

SMILES: COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1

InChI Key:

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 = 259519   

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))	BDBM259519 (US9505749, 30) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.567	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))	BDBM259519 (US9505749, 30) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.27E+3	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))	BDBM259519 (US9505749, 30) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)| Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.06E+3	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))	BDBM259519 (US9505749, 30) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	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