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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Discoidin domain-containing receptor 2' and Ligand = 'BDBM50529784'   
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))
BDBM50529784
PNG
(CHEMBL4460782)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N6O2/c1-17-7-8-19(28(40)34-22-6-4-5-21(13-22)29(30,31)32)11-24(17)18-9-10-23-25(12-18)35-36-27(23)20-14-33-38(15-20)16-26(39)37(2)3/h4-15H,16H2,1-3H3,(H,34,40)(H,35,36)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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))
BDBM50529784
PNG
(CHEMBL4460782)
Show SMILES CN(C)C(=O)Cn1cc(cn1)-c1n[nH]c2cc(ccc12)-c1cc(ccc1C)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C29H25F3N6O2/c1-17-7-8-19(28(40)34-22-6-4-5-21(13-22)29(30,31)32)11-24(17)18-9-10-23-25(12-18)35-36-27(23)20-14-33-38(15-20)16-26(39)37(2)3/h4-15H,16H2,1-3H3,(H,34,40)(H,35,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70n/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