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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 = 'BDBM50529787'   
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))
BDBM50529787
PNG
(CHEMBL4572126)
Show SMILES Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCO)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F3N5O2/c1-16-5-6-18(26(37)32-21-4-2-3-20(13-21)27(28,29)30)11-23(16)17-7-8-22-24(12-17)33-34-25(22)19-14-31-35(15-19)9-10-36/h2-8,11-15,36H,9-10H2,1H3,(H,32,37)(H,33,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/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))
BDBM50529787
PNG
(CHEMBL4572126)
Show SMILES Cc1ccc(cc1-c1ccc2c(n[nH]c2c1)-c1cnn(CCO)c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C27H22F3N5O2/c1-16-5-6-18(26(37)32-21-4-2-3-20(13-21)27(28,29)30)11-23(16)17-7-8-22-24(12-17)33-34-25(22)19-14-31-35(15-19)9-10-36/h2-8,11-15,36H,9-10H2,1H3,(H,32,37)(H,33,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/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