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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 = 'BDBM50529766'   
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))
BDBM50529766
PNG
(CHEMBL4559322)
Show SMILES Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCN2CCOCC2)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N6O2/c1-20-5-6-22(30(41)36-25-4-2-3-24(17-25)31(32,33)34)15-27(20)21-7-8-26-28(16-21)37-38-29(26)23-18-35-40(19-23)10-9-39-11-13-42-14-12-39/h2-8,15-19H,9-14H2,1H3,(H,36,41)(H,37,38)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/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))
BDBM50529766
PNG
(CHEMBL4559322)
Show SMILES Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCN2CCOCC2)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C31H29F3N6O2/c1-20-5-6-22(30(41)36-25-4-2-3-24(17-25)31(32,33)34)15-27(20)21-7-8-26-28(16-21)37-38-29(26)23-18-35-40(19-23)10-9-39-11-13-42-14-12-39/h2-8,15-19H,9-14H2,1H3,(H,36,41)(H,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.60n/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