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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 4' and Ligand = 'BDBM50509949'   
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
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216 | US11667631, Example 29)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.960n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2CJ8JDK
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM50509949
PNG
(CHEMBL4475216 | US11667631, Example 29)
Show SMILES COC[C@@H](C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCCOC4=O)c(C=O)nc23)ncc1C#N |r|
Show InChI InChI=1S/C26H31N7O5/c1-17(16-37-2)29-21-11-23(28-13-20(21)12-27)31-25(35)33-8-5-6-18-10-19(22(15-34)30-24(18)33)14-32-7-3-4-9-38-26(32)36/h10-11,13,15,17H,3-9,14,16H2,1-2H3,(H2,28,29,31,35)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of FGFR4 (unknown origin) incubated for 60 mins by caliper microfluidic mobility shift technology based assay


Bioorg Med Chem 27: 1932-1941 (2019)


Article DOI: 10.1016/j.bmc.2019.04.018
BindingDB Entry DOI: 10.7270/Q2SB491W
More data for this
Ligand-Target Pair