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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 439.5
BDBM50529789

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50529789
PNG
(CHEMBL4468582)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc2)CC1
Show InChI InChI=1S/C27H29N5O/c1-19-3-6-22(15-25(19)21-7-8-23-17-28-30-26(23)16-21)27(33)29-24-9-4-20(5-10-24)18-32-13-11-31(2)12-14-32/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,30)(H,29,33)
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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) using poly (Glu, Tyr) 4:1 substrate after 60 mins by ELISA


Eur J Med Chem 163: 671-689 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.015
BindingDB Entry DOI: 10.7270/Q25X2DDK
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50529789
PNG
(CHEMBL4468582)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc2)CC1
Show InChI InChI=1S/C27H29N5O/c1-19-3-6-22(15-25(19)21-7-8-23-17-28-30-26(23)16-21)27(33)29-24-9-4-20(5-10-24)18-32-13-11-31(2)12-14-32/h3-10,15-17H,11-14,18H2,1-2H3,(H,28,30)(H,29,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DDR2 (unknown origin) using poly (Glu, Tyr) 4:1 substrate after 60 mins by ELISA


Eur J Med Chem 163: 671-689 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.015
BindingDB Entry DOI: 10.7270/Q25X2DDK
More data for this
Ligand-Target Pair