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BDBM50135174 CHEMBL3747431

SMILES: Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O

InChI Key: InChIKey=AQSOTOUQTVJNMY-UHFFFAOYSA-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 = 50135174   
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
Dickkopf-related protein 1


(Mus musculus)
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of mouse DKK1 assessed as inhibition of DKK1-alkaline phophatase binding to LRP5 transfected in HEK293 cells


Eur J Med Chem 108: 28-38 (2016)


BindingDB Entry DOI: 10.7270/Q2TF0067
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.38E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair
Low-density lipoprotein receptor-related protein 6


(Homo sapiens (Human))
BDBM50135174
PNG
(CHEMBL3747431)
Show SMILES Cl.CN(C)c1ccc2nc3c(cc(=O)c(O)c3oc2c1)C(O)=O
Show InChI InChI=1S/C15H12N2O5.ClH/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19;/h3-6,19H,1-2H3,(H,20,21);1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Binding affinity to human LRP6 expressed in HEK293 cells assessed as inhibition of DKK1/LRP6 interaction using compound pre-treated DKK1 conditioned ...


Bioorg Med Chem 24: 1014-22 (2016)


BindingDB Entry DOI: 10.7270/Q2J67JRS
More data for this
Ligand-Target Pair