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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM50112618'   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50112618
PNG
(CHEMBL3608787)
Show SMILES C[C@H](NC(=O)Nc1ccccc1)c1ccc(C)c(NC(=O)c2cnc3ccccn23)c1 |r|
Show InChI InChI=1/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/s2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6n/an/an/an/an/an/a



Astex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of DDR1 (unknown origin) after 1 hr by time resolved fluorescence method


ACS Med Chem Lett 6: 798-803 (2015)


BindingDB Entry DOI: 10.7270/Q2SQ925G
More data for this
Ligand-Target Pair