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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 507.5
BDBM50529777

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))
BDBM50529777
PNG
(CHEMBL4569749)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H28F3N5O/c1-18-3-4-21(13-25(18)20-5-6-22-16-32-34-26(22)14-20)27(37)33-24-12-19(11-23(15-24)28(29,30)31)17-36-9-7-35(2)8-10-36/h3-6,11-16H,7-10,17H2,1-2H3,(H,32,34)(H,33,37)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/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))
BDBM50529777
PNG
(CHEMBL4569749)
Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C)c(c3)-c3ccc4cn[nH]c4c3)cc(c2)C(F)(F)F)CC1
Show InChI InChI=1S/C28H28F3N5O/c1-18-3-4-21(13-25(18)20-5-6-22-16-32-34-26(22)14-20)27(37)33-24-12-19(11-23(15-24)28(29,30)31)17-36-9-7-35(2)8-10-36/h3-6,11-16H,7-10,17H2,1-2H3,(H,32,34)(H,33,37)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70n/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