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BDBM249429 US10537571, Compound 149::US10912774, Compound 149::US9434697, 149::US9730931, Compound 149

SMILES: COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl

InChI Key: InChIKey=WRAFHNIGJREMOP-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 249429   
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 4


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.525



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Compounds were profiled for FGFR inhibition activity at Reaction Biology Corporation (Malvern, Pa.) with their Kinase HotSpot assay. See, Anastassiad...


US Patent US9434697 (2016)


BindingDB Entry DOI: 10.7270/Q2K07351
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB
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US Patent
n/an/a 7.70E+3n/an/an/an/a7.525



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Compounds were profiled for FGFR inhibition activity at Reaction Biology Corporation (Malvern, Pa.) with their Kinase HotSpot assay. See, Anastassiad...


US Patent US9434697 (2016)


BindingDB Entry DOI: 10.7270/Q2K07351
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB

KEGG

UniProtKB/SwissProt

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



EISAI R&D Management Co., Ltd.

US Patent


Assay Description
Purified, recombinant FGFR4 was pre-incubated with 10 μM compound overnight at 4° C., or for 1 hour at room temperature. Following pre-incubatio...


US Patent US9730931 (2017)


BindingDB Entry DOI: 10.7270/Q2542QPZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
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n/an/a 7.70E+3n/an/an/an/an/an/a



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen™) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ I...


US Patent US10912774 (2021)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 μ...


US Patent US10537571 (2020)


BindingDB Entry DOI: 10.7270/Q289188G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
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US Patent
n/an/a 7.70E+3n/an/an/an/an/an/a



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ ID NO:1) (20 μ...


US Patent US10537571 (2020)


BindingDB Entry DOI: 10.7270/Q289188G
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



EISAI R&D MANAGEMENT CO., LTD.

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen™) was prepared as a mixture with substrate KKKSPGEYVNIEFG (SEQ I...


US Patent US10912774 (2021)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249429
PNG
(US10537571, Compound 149 | US10912774, Compound 14...)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(cc3NC(=O)C=C)C(=O)N(C)C)ncn2)c1Cl
Show InChI InChI=1S/C26H27Cl2N7O5/c1-7-21(36)32-16-10-14(25(37)34(2)3)8-9-15(16)31-19-12-20(30-13-29-19)35(4)26(38)33-24-22(27)17(39-5)11-18(40-6)23(24)28/h7-13H,1H2,2-6H3,(H,32,36)(H,33,38)(H,29,30,31)
PDB
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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 7.70E+3n/an/an/an/an/an/a



EISAI R&D Management Co., Ltd.

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen™) was prepared as a mixture with substrate KKKSPGEYVNIEFG (...


US Patent US9730931 (2017)


BindingDB Entry DOI: 10.7270/Q2542QPZ
More data for this
Ligand-Target Pair