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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 4' and Ligand = 'BDBM438600'   
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))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human wild type N-His tagged FGFR4 (460-802) using Y10-Sox as substrate in presence of 250 uM ATP by Omnia kinase method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of FGFR4 (unknown origin) expressed in human Huh7 cells assessed as autophosphorylation after 1 hr incubation measured by Mesoscale discov...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.9b00601
BindingDB Entry DOI: 10.7270/Q2CN77NN
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM438600
PNG
(US10618902, Compound I-281)
Show SMILES COc1cc(OC)c(F)c(c1F)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O |r,wU:19.19,23.25,(4.49,5.76,;5.82,4.99,;5.82,3.45,;7.16,2.68,;7.16,1.14,;8.49,.37,;9.82,1.14,;5.82,.37,;5.82,-1.17,;4.49,1.14,;4.49,2.68,;3.16,3.45,;3.16,.37,;1.82,1.14,;.49,.37,;-.85,1.14,;-2.18,.37,;-2.18,-1.17,;-3.51,-1.94,;-4.85,-1.17,;-5.01,.36,;-6.51,.68,;-7.28,-.65,;-6.25,-1.8,;-6.57,-3.3,;-8.04,-3.78,;-9.18,-2.75,;-8.36,-5.28,;-9.82,-5.76,;-.85,-1.94,;.49,-1.17,;1.82,-1.94,;1.82,-3.48,;3.16,-1.17,;4.49,-1.94,)|
Show InChI InChI=1S/C23H23F2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<500n/an/an/an/an/an/a



Celgene CAR LLC; Sanofi

US Patent


Assay Description
A 10× stock solution of FGFR4-WT (PR4380C or P3054), (from Invitrogen, Carlsbad, Calif.) corresponding to method a in Table 10, was prepared as descr...


US Patent US10618902 (2020)


BindingDB Entry DOI: 10.7270/Q25X2D06
More data for this
Ligand-Target Pair