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SMILES: Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1

InChI Key: InChIKey=KCXFNUZJEYUGTK-UHFFFAOYSA-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 4 hits for monomerid = 259542   
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-1 [1091-1325]


(Homo sapiens (Human))
BDBM259542
PNG
(US9505749, 53)
Show SMILES Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C24H23FN4O4/c25-15-8-9-19-20(14-15)33-24(32)29(19)16-10-12-28(13-11-16)22(30)7-3-6-21-26-18-5-2-1-4-17(18)23(31)27-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.17n/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))
BDBM259542
PNG
(US9505749, 53)
Show SMILES Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C24H23FN4O4/c25-15-8-9-19-20(14-15)33-24(32)29(19)16-10-12-28(13-11-16)22(30)7-3-6-21-26-18-5-2-1-4-17(18)23(31)27-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 998n/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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM259542
PNG
(US9505749, 53)
Show SMILES Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C24H23FN4O4/c25-15-8-9-19-20(14-15)33-24(32)29(19)16-10-12-28(13-11-16)22(30)7-3-6-21-26-18-5-2-1-4-17(18)23(31)27-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,26,27,31)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.57E+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
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162]


(Homo sapiens (Human))
BDBM259542
PNG
(US9505749, 53)
Show SMILES Fc1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)oc2c1
Show InChI InChI=1S/C24H23FN4O4/c25-15-8-9-19-20(14-15)33-24(32)29(19)16-10-12-28(13-11-16)22(30)7-3-6-21-26-18-5-2-1-4-17(18)23(31)27-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,26,27,31)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.593n/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