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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 = 'BDBM50014338'   
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))
BDBM50014338
PNG
(CHEMBL3261118)
Show SMILES CCC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H40N6O4/c1-5-31(40)34-23-9-8-10-24(21-23)39-30(22-29(37-39)33(2,3)4)36-32(41)35-27-13-14-28(26-12-7-6-11-25(26)27)43-20-17-38-15-18-42-19-16-38/h6-14,21-22H,5,15-20H2,1-4H3,(H,34,40)(H2,35,36,41)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay


J Med Chem 57: 4252-62 (2014)


Article DOI: 10.1021/jm500167q
BindingDB Entry DOI: 10.7270/Q2Z039P4
More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens (Human))
BDBM50014338
PNG
(CHEMBL3261118)
Show SMILES CCC(=O)Nc1cccc(c1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H40N6O4/c1-5-31(40)34-23-9-8-10-24(21-23)39-30(22-29(37-39)33(2,3)4)36-32(41)35-27-13-14-28(26-12-7-6-11-25(26)27)43-20-17-38-15-18-42-19-16-38/h6-14,21-22H,5,15-20H2,1-4H3,(H,34,40)(H2,35,36,41)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 30n/an/an/an/an/a



Technical University of Dortmund

Curated by ChEMBL


Assay Description
Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay


J Med Chem 57: 4252-62 (2014)


Article DOI: 10.1021/jm500167q
BindingDB Entry DOI: 10.7270/Q2Z039P4
More data for this
Ligand-Target Pair