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BDBM161453 US10124003, Ex. Compound 66::US9108973, 66

SMILES: COC(=O)[C@@H]1C[C@@H](CN1C(=O)C=C)n1cc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc12

InChI Key: InChIKey=XFRUUWLGSXWQSM-ODFXZGDXNA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 161453   
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))
BDBM161453
PNG
(US10124003, Ex. Compound 66 | US9108973, 66)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)C=C)n1cc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc12 |r|
Show InChI InChI=1/C25H25N5O5/c1-5-21(31)30-13-17(10-20(30)25(32)35-4)29-12-16(22-23(26)27-14-28-24(22)29)7-6-15-8-18(33-2)11-19(9-15)34-3/h5,8-9,11-12,14,17,20H,1,10,13H2,2-4H3,(H2,26,27,28)/t17-,20-/s2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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))
BDBM161453
PNG
(US10124003, Ex. Compound 66 | US9108973, 66)
Show SMILES COC(=O)[C@@H]1C[C@@H](CN1C(=O)C=C)n1cc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc12 |r|
Show InChI InChI=1/C25H25N5O5/c1-5-21(31)30-13-17(10-20(30)25(32)35-4)29-12-16(22-23(26)27-14-28-24(22)29)7-6-15-8-18(33-2)11-19(9-15)34-3/h5,8-9,11-12,14,17,20H,1,10,13H2,2-4H3,(H2,26,27,28)/t17-,20-/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<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