BDBM231161 US9340549, 181

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N

InChI Key: InChIKey=UIFXZZBXVHLHIA-FUDKSRODSA-N

Data: 1 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 1 hit for monomerid = 231161   

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))	BDBM231161 (US9340549, 181) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1ncc2cc(ccc12)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,2.81,;4.62,2.33,;4.62,.79,;5.76,-.24,;5.44,-1.74,;3.98,-2.22,;2.83,-1.19,;3.15,.32,;6.53,-2.83,;7.62,-3.92,)| Show InChI InChI=1S/C25H26N4O2/c1-25(2)23(18-6-4-3-5-7-18)28(24(30)31-25)20-9-11-21(12-10-20)29-22-13-8-17(15-26)14-19(22)16-27-29/h3-8,13-14,16,20-21,23H,9-12H2,1-2H3/t20-,21-,23-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	714	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair