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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 = 'BDBM50529780'   
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))
BDBM50529780
PNG
(CHEMBL4448547)
Show SMILES Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O/c1-13-5-6-15(9-19(13)14-7-8-16-12-26-28-20(16)10-14)21(29)27-18-4-2-3-17(11-18)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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))
BDBM50529780
PNG
(CHEMBL4448547)
Show SMILES Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H16F3N3O/c1-13-5-6-15(9-19(13)14-7-8-16-12-26-28-20(16)10-14)21(29)27-18-4-2-3-17(11-18)22(23,24)25/h2-12H,1H3,(H,26,28)(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/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