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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 = 'BDBM161438'   
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))
BDBM161438
PNG
(US10124003, Ex. Compound 51 | US9108973, 51)
Show SMILES COc1cc(OC)cc(c1)C#CC1=CN(C2CN(C2)C(=O)C=C)C2N=CN=C(N)C12 |c:26,t:13,28|
Show InChI InChI=1/C22H23N5O3/c1-4-19(28)26-11-16(12-26)27-10-15(20-21(23)24-13-25-22(20)27)6-5-14-7-17(29-2)9-18(8-14)30-3/h4,7-10,13,16,20,22H,1,11-12H2,2-3H3,(H2,23,24,25)
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PC cid
PC sid
UniChem
US Patent
n/an/a<0.300n/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))
BDBM161438
PNG
(US10124003, Ex. Compound 51 | US9108973, 51)
Show SMILES COc1cc(OC)cc(c1)C#CC1=CN(C2CN(C2)C(=O)C=C)C2N=CN=C(N)C12 |c:26,t:13,28|
Show InChI InChI=1/C22H23N5O3/c1-4-19(28)26-11-16(12-26)27-10-15(20-21(23)24-13-25-22(20)27)6-5-14-7-17(29-2)9-18(8-14)30-3/h4,7-10,13,16,20,22H,1,11-12H2,2-3H3,(H2,23,24,25)
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<0.300n/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