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SMILES: Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O

InChI Key: InChIKey=KCCHUDANIWRWFS-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 = 50505331   
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


(Homo sapiens (Human))
BDBM50505331
PNG
(CHEMBL4458129)
Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck Healthcare KGaA

Curated by ChEMBL


Assay Description
Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS2 (873 to 1166 residues) expressed in baculovirus infected sf9 cells assessed ...


J Med Chem 62: 7897-7909 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00656
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2


(Homo sapiens (Human))
BDBM50505331
PNG
(CHEMBL4458129)
Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 37n/an/an/an/a



Merck Healthcare KGaA

Curated by ChEMBL


Assay Description
Inhibition of tankyrase 1/2 in human DLD1 cells assessed as increase in axin2 accumulation incubated for 24 hrs by luminex based bead assay


J Med Chem 62: 7897-7909 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00656
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50505331
PNG
(CHEMBL4458129)
Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Healthcare KGaA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length Myc/His-tagged Parp-1 expressed in baculovirus infected Sf21 insect cells assessed as reduction in auto-P...


J Med Chem 62: 7897-7909 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00656
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50505331
PNG
(CHEMBL4458129)
Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O
Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Merck Healthcare KGaA

Curated by ChEMBL


Assay Description
Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...


J Med Chem 62: 7897-7909 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00656
More data for this
Ligand-Target Pair