Found 2 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]' and Ligand = 'BDBM231008' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
(Homo sapiens (Human)) | BDBM231008
(US9340549, 26 | US9340549, 27)Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10.3 | 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 | |
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325]
(Homo sapiens (Human)) | BDBM231008
(US9340549, 26 | US9340549, 27)Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 22 | 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 | |
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