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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fibroblast growth factor receptor 2' and Ligand = 'BDBM161450'   
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))
BDBM161450
PNG
(US10124003, Ex. Compound 63 | US9108973, 63)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn(C2CN(C2)C(=O)\C=C\CN2CC[C@@H](O)C2)c2ncnc(N)c12 |r|
Show InChI InChI=1/C27H30N6O4/c1-36-22-10-18(11-23(12-22)37-2)5-6-19-13-33(27-25(19)26(28)29-17-30-27)20-14-32(15-20)24(35)4-3-8-31-9-7-21(34)16-31/h3-4,10-13,17,20-21,34H,7-9,14-16H2,1-2H3,(H2,28,29,30)/b4-3+/t21-/s2
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MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

US Patent




US Patent US10124003 (2018)


BindingDB Entry DOI: 10.7270/Q2B27XBQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161450
PNG
(US10124003, Ex. Compound 63 | US9108973, 63)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn(C2CN(C2)C(=O)\C=C\CN2CC[C@@H](O)C2)c2ncnc(N)c12 |r|
Show InChI InChI=1/C27H30N6O4/c1-36-22-10-18(11-23(12-22)37-2)5-6-19-13-33(27-25(19)26(28)29-17-30-27)20-14-32(15-20)24(35)4-3-8-31-9-7-21(34)16-31/h3-4,10-13,17,20-21,34H,7-9,14-16H2,1-2H3,(H2,28,29,30)/b4-3+/t21-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/a7.525



Taiho Pharmaceutical Co., Ltd.

US Patent


Assay Description
When setting conditions for the measurement of the inhibitory effect of the compounds on FGFR2 kinase activity, FL-Peptide 22 (Caliper Life Sciences,...


US Patent US9108973 (2015)


BindingDB Entry DOI: 10.7270/Q2XW4HJV
More data for this
Ligand-Target Pair