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BDBM161427 US10124003, Ex. Compound 40::US10835536, Ex. Comp 40::US10894048, Ex Comp 40::US9108973, 40

SMILES: COc1cc(OC)cc(c1)C#Cc1cn([C@H]2CCN(C2)C(=O)\C=C\CN2CCCC2)c2ncnc(N)c12

InChI Key: InChIKey=UIEGAUJNKDZZQN-BDNZGDGKSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 161427   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM161427
PNG
(US10124003, Ex. Compound 40 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn([C@H]2CCN(C2)C(=O)\C=C\CN2CCCC2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C28H32N6O3/c1-36-23-14-20(15-24(16-23)37-2)7-8-21-17-34(28-26(21)27(29)30-19-31-28)22-9-13-33(18-22)25(35)6-5-12-32-10-3-4-11-32/h5-6,14-17,19,22H,3-4,9-13,18H2,1-2H3,(H2,29,30,31)/b6-5+/t22-/m0/s1
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Similars

US Patent
n/an/a 3.20n/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
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161427
PNG
(US10124003, Ex. Compound 40 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn([C@H]2CCN(C2)C(=O)\C=C\CN2CCCC2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C28H32N6O3/c1-36-23-14-20(15-24(16-23)37-2)7-8-21-17-34(28-26(21)27(29)30-19-31-28)22-9-13-33(18-22)25(35)6-5-12-32-10-3-4-11-32/h5-6,14-17,19,22H,3-4,9-13,18H2,1-2H3,(H2,29,30,31)/b6-5+/t22-/m0/s1
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PC sid
UniChem

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US Patent
n/an/a 3.20n/an/an/an/an/an/a



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 US10894048 (2021)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161427
PNG
(US10124003, Ex. Compound 40 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn([C@H]2CCN(C2)C(=O)\C=C\CN2CCCC2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C28H32N6O3/c1-36-23-14-20(15-24(16-23)37-2)7-8-21-17-34(28-26(21)27(29)30-19-31-28)22-9-13-33(18-22)25(35)6-5-12-32-10-3-4-11-32/h5-6,14-17,19,22H,3-4,9-13,18H2,1-2H3,(H2,29,30,31)/b6-5+/t22-/m0/s1
PDB
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PC cid
PC sid
UniChem

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US Patent
n/an/a 3.20n/an/an/an/an/an/a



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 US10835536 (2020)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM161427
PNG
(US10124003, Ex. Compound 40 | US10835536, Ex. Comp...)
Show SMILES COc1cc(OC)cc(c1)C#Cc1cn([C@H]2CCN(C2)C(=O)\C=C\CN2CCCC2)c2ncnc(N)c12 |r|
Show InChI InChI=1S/C28H32N6O3/c1-36-23-14-20(15-24(16-23)37-2)7-8-21-17-34(28-26(21)27(29)30-19-31-28)22-9-13-33(18-22)25(35)6-5-12-32-10-3-4-11-32/h5-6,14-17,19,22H,3-4,9-13,18H2,1-2H3,(H2,29,30,31)/b6-5+/t22-/m0/s1
PDB
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antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.20n/an/an/an/an/an/a



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 US10124003 (2018)


BindingDB Entry DOI: 10.7270/Q2B27XBQ
More data for this
Ligand-Target Pair