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BDBM259517 US9505749, 28

SMILES: Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1

InChI Key: InChIKey=AICJSAOJHVWPBE-UAPYVXQJNA-N

Data: 3 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 3 hits for monomerid = 259517   
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
Tankyrase-1


(Homo sapiens (Human))
BDBM259517
PNG
(US9505749, 28)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1/C26H26FN5O3/c27-18-12-8-16(9-13-18)25-31-32-26(35-25)17-10-14-19(15-11-17)28-23(33)7-3-6-22-29-21-5-2-1-4-20(21)24(34)30-22/h1-2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14-15H2,(H,28,33)(H,29,30,34)/t17-,19-
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.531n/an/an/an/an/an/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))
BDBM259517
PNG
(US9505749, 28)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1/C26H26FN5O3/c27-18-12-8-16(9-13-18)25-31-32-26(35-25)17-10-14-19(15-11-17)28-23(33)7-3-6-22-29-21-5-2-1-4-20(21)24(34)30-22/h1-2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14-15H2,(H,28,33)(H,29,30,34)/t17-,19-
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.76E+3n/an/an/an/an/an/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))
BDBM259517
PNG
(US9505749, 28)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1/C26H26FN5O3/c27-18-12-8-16(9-13-18)25-31-32-26(35-25)17-10-14-19(15-11-17)28-23(33)7-3-6-22-29-21-5-2-1-4-20(21)24(34)30-22/h1-2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14-15H2,(H,28,33)(H,29,30,34)/t17-,19-
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.303n/an/an/an/an/an/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