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SMILES: CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1

InChI Key: InChIKey=UYLLGWXNACFQPE-QFIPXVFZSA-N

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 2 hits for monomerid = 231045   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))
BDBM231045
PNG
(US9340549, 64)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C26H22FN5O2/c1-26(2)22(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(23(28)29-13-18)24-30-14-19(27)15-31-24/h3-15,22H,1-2H3,(H2,28,29)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48.3n/an/an/an/an/a25



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
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]


(Homo sapiens (Human))
BDBM231045
PNG
(US9340549, 64)
Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1ncc(F)cn1 |r|
Show InChI InChI=1S/C26H22FN5O2/c1-26(2)22(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(23(28)29-13-18)24-30-14-19(27)15-31-24/h3-15,22H,1-2H3,(H2,28,29)/t22-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 85n/an/an/an/an/a25



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