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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Epithelial discoidin domain-containing receptor 1' and Ligand = 'BDBM50511478'   
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))
BDBM50511478
PNG
(CHEMBL4519003)
Show SMILES CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H22F4N4O/c1-3-18-4-5-19(28(38)36-24-13-22(29(31,32)33)12-23(30)14-24)11-25(18)20-8-17(2)9-21(10-20)26-15-35-27-16-34-6-7-37(26)27/h4-16H,3H2,1-2H3,(H,36,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged DDR1 catalytic domain (440 to 876 residues) expressed in baculovirus expression system using Fluorescein-p...


ACS Med Chem Lett 11: 379-384 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00495
BindingDB Entry DOI: 10.7270/Q29P350H
More data for this
Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1


(Homo sapiens (Human))
BDBM50511478
PNG
(CHEMBL4519003)
Show SMILES CCc1ccc(cc1-c1cc(C)cc(c1)-c1cnc2cnccn12)C(=O)Nc1cc(F)cc(c1)C(F)(F)F
Show InChI InChI=1S/C29H22F4N4O/c1-3-18-4-5-19(28(38)36-24-13-22(29(31,32)33)12-23(30)14-24)11-25(18)20-8-17(2)9-21(10-20)26-15-35-27-16-34-6-7-37(26)27/h4-16H,3H2,1-2H3,(H,36,38)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 7.80n/an/an/an/an/a



Jinan University

Curated by ChEMBL


Assay Description
Binding affinity to wild type human partial length DDR1 (R565 to V876 residues) expressed in bacterial expression system after 1 hr by Kinomescan met...


ACS Med Chem Lett 11: 379-384 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00495
BindingDB Entry DOI: 10.7270/Q29P350H
More data for this
Ligand-Target Pair