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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 2' and Ligand = 'BDBM318879'   
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 2


(Homo sapiens (Human))
BDBM318879
PNG
(N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...)
Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)
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PC sid
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US Patent
n/an/a 300n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
The compound of Formula I binds to a kinase selected from the group consisting of EGFR, EGFR L858R, EGFR T790M, EGFR del E746-A750, or EGFR L858R/T79...


US Patent US10172868 (2019)


BindingDB Entry DOI: 10.7270/Q25141BX
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM318879
PNG
(N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...)
Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)
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n/an/a 300n/an/an/an/an/an/a


TBA

Assay Description
FGFR2: The 2×FGFR2/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 4 mM MnCl2, 1 mM EGTA, 2 mM DTT. The final 10 μ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2571G7W
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM318879
PNG
(N-(3-(2-((4-(4-(2-hydroxyethyl)piperazin-1-yl)phen...)
Show SMILES OCCN1CCN(CC1)c1ccc(Nc2ncc3cccc(-c4cccc(NC(=O)C=C)c4)c3n2)cc1
Show InChI InChI=1S/C29H30N6O2/c1-2-27(37)31-24-7-3-5-21(19-24)26-8-4-6-22-20-30-29(33-28(22)26)32-23-9-11-25(12-10-23)35-15-13-34(14-16-35)17-18-36/h2-12,19-20,36H,1,13-18H2,(H,31,37)(H,30,32,33)
PDB
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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 300n/an/an/an/an/an/a



NEUPHARMA, INC.

US Patent


Assay Description
(i) Peptide/Kinase Mixtures for measurement of EGFR (ErbB1):The 2×EGFR (ErbB1)/Tyr 04 mixture is prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM...


US Patent US10653701 (2020)


BindingDB Entry DOI: 10.7270/Q2TB19XQ
More data for this
Ligand-Target Pair