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BDBM50511536 CHEMBL4585076

SMILES: Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21

InChI Key: InChIKey=PQOYFQLZYDRHBS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50511536   
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


(Homo sapiens (Human))
BDBM50511536
PNG
(CHEMBL4585076)
Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21
Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



Japanese Foundation for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS SAM-PARP domain (1024 to 1327 residues) expressed in Esc...


J Med Chem 63: 4183-4204 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00045
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50511536
PNG
(CHEMBL4585076)
Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21
Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Japanese Foundation for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in human DLD1 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferas...


J Med Chem 63: 4183-4204 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00045
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50511536
PNG
(CHEMBL4585076)
Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21
Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Japanese Foundation for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...


J Med Chem 63: 4183-4204 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00045
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50511536
PNG
(CHEMBL4585076)
Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21
Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Japanese Foundation for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal TEV cleavage site-fused/FLAG-poly his-tagged TNKS2 ARC5-SAM-PARP domain (613 to 1166 residues) expressed i...


J Med Chem 63: 4183-4204 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00045
More data for this
Ligand-Target Pair