BDBM231041 US9340549, 58

SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)n1ccc2cccnc12

InChI Key: InChIKey=IMIJXCSAWMZCPP-ACRUOGEOSA-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 = 231041   

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))	BDBM231041 (US9340549, 58) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)n1ccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.38,-.02,;-6.04,.75,;-6.81,-.58,;-6.04,2.29,;-4.58,2.77,;-3.81,4.1,;-3.67,1.52,;-4.58,.27,;-4.18,-1.21,;-5.27,-2.3,;-4.87,-3.79,;-3.38,-4.19,;-2.29,-3.1,;-2.69,-1.61,;-2.13,1.52,;-1.36,.19,;.18,.19,;.95,1.52,;.18,2.85,;-1.36,2.85,;2.49,1.52,;3.26,2.85,;2.49,4.19,;4.59,2.08,;5.84,2.99,;7.08,2.08,;6.61,.62,;7.38,-.71,;6.61,-2.05,;5.07,-2.05,;4.3,-.71,;5.07,.62,)| Show InChI InChI=1S/C25H28N4O3/c1-25(2)21(17-7-4-3-5-8-17)29(24(31)32-25)20-12-10-19(11-13-20)27-23(30)28-16-14-18-9-6-15-26-22(18)28/h3-9,14-16,19-21H,10-13H2,1-2H3,(H,27,30)/t19-,20-,21-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.46	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