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SMILES: CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1

InChI Key: InChIKey=GVEQLTBABUNRMS-UHFFFAOYSA-N

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 = 287037   
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 1


(Homo sapiens (Human))
BDBM287037
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2-chl...)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H26ClN5O5/c1-5-20(31)29-12-16(13-29)35-7-6-30-22-14(11-27-24(26-2)28-22)8-18(23(30)32)17-9-15(33-3)10-19(34-4)21(17)25/h5,8-11,16H,1,6-7,12-13H2,2-4H3,(H,26,27,28)
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/an/an/an/an/a25



Principia Biopharma, Inc.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


US Patent US9567334 (2017)


BindingDB Entry DOI: 10.7270/Q2XK8HKQ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM287037
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2-chl...)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H26ClN5O5/c1-5-20(31)29-12-16(13-29)35-7-6-30-22-14(11-27-24(26-2)28-22)8-18(23(30)32)17-9-15(33-3)10-19(34-4)21(17)25/h5,8-11,16H,1,6-7,12-13H2,2-4H3,(H,26,27,28)
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PC cid
PC sid
UniChem
n/an/a 1.70n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM287037
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2-chl...)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H26ClN5O5/c1-5-20(31)29-12-16(13-29)35-7-6-30-22-14(11-27-24(26-2)28-22)8-18(23(30)32)17-9-15(33-3)10-19(34-4)21(17)25/h5,8-11,16H,1,6-7,12-13H2,2-4H3,(H,26,27,28)
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UniChem
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n/an/a 4.40n/an/an/an/an/an/a



PRINCIPIA BIOPHARMA, INC.

US Patent


Assay Description
A Caliper-based kinase assay (Caliper Life Sciences, Hopkinton, Mass.) was used to measure inhibition of FGFR family (FGFR1, FGFR2, FGFR3, FGFR4) kin...


US Patent US9815834 (2017)


BindingDB Entry DOI: 10.7270/Q2B85B83
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM287037
PNG
(8-(2-((1-acryloylazetidin-3-yl)oxy)ethyl)-6-(2-chl...)
Show SMILES CNc1ncc2cc(-c3cc(OC)cc(OC)c3Cl)c(=O)n(CCOC3CN(C3)C(=O)C=C)c2n1
Show InChI InChI=1S/C24H26ClN5O5/c1-5-20(31)29-12-16(13-29)35-7-6-30-22-14(11-27-24(26-2)28-22)8-18(23(30)32)17-9-15(33-3)10-19(34-4)21(17)25/h5,8-11,16H,1,6-7,12-13H2,2-4H3,(H,26,27,28)
PDB
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.



Assay Description
The cell-based effects of FGFR inhibitors were determined by measuring inhibition of FGFR-dependent cell line growth. The cell lines SNU-16 was used ...


Bioorg Med Chem Lett 19: 773-7 (2009)


BindingDB Entry DOI: 10.7270/Q2GX4DVZ
More data for this
Ligand-Target Pair