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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 561.6
BDBM50529776

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))
BDBM50529776
PNG
(CHEMBL4565181)
Show SMILES Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cc(CN2CCN(CC2)C2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O/c1-21-6-7-24(16-29(21)23-8-9-25-19-36-38-30(25)17-23)31(41)37-27-15-22(14-26(18-27)32(33,34)35)20-39-10-12-40(13-11-39)28-4-2-3-5-28/h6-9,14-19,28H,2-5,10-13,20H2,1H3,(H,36,38)(H,37,41)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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))
BDBM50529776
PNG
(CHEMBL4565181)
Show SMILES Cc1ccc(cc1-c1ccc2cn[nH]c2c1)C(=O)Nc1cc(CN2CCN(CC2)C2CCCC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C32H34F3N5O/c1-21-6-7-24(16-29(21)23-8-9-25-19-36-38-30(25)17-23)31(41)37-27-15-22(14-26(18-27)32(33,34)35)20-39-10-12-40(13-11-39)28-4-2-3-5-28/h6-9,14-19,28H,2-5,10-13,20H2,1H3,(H,36,38)(H,37,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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