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BDBM50136757 CHEMBL3753510

SMILES: COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1

InChI Key: InChIKey=QEFRLEQZTKAQJC-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50136757   
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 1/2


(Homo sapiens (Human))
BDBM50136757
PNG
(CHEMBL3753510)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 790n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of tankyrase in WNT3a-stimulated human HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 26: 328-33 (2016)


BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136757
PNG
(CHEMBL3753510)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 257n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136757
PNG
(CHEMBL3753510)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50136757
PNG
(CHEMBL3753510)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 260n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS2 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50136757
PNG
(CHEMBL3753510)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(C(=O)NCC2(CCOCC2)c2ccc(OC)cc2)c(Cl)c1
Show InChI InChI=1S/C28H29ClN2O5/c1-34-22-8-3-19(4-9-22)26(32)31-21-7-12-24(25(29)17-21)27(33)30-18-28(13-15-36-16-14-28)20-5-10-23(35-2)11-6-20/h3-12,17H,13-16,18H2,1-2H3,(H,30,33)(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 by fluorescence analysis


Bioorg Med Chem Lett 26: 328-33 (2016)


BindingDB Entry DOI: 10.7270/Q20003ZD
More data for this
Ligand-Target Pair