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BDBM339869 US9757364, Compound 57

SMILES: COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1

InChI Key: InChIKey=XTLRUHNSWCKNBK-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 339869   
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))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.550n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR1 (h) (25 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)


BindingDB Entry DOI: 10.7270/Q2SB47VT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.45n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR2 (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Tri...


US Patent US9757364 (2017)


BindingDB Entry DOI: 10.7270/Q2SB47VT
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
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UniChem
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n/an/a 7.24n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, KDR (h) (150 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trito...


US Patent US9757364 (2017)


BindingDB Entry DOI: 10.7270/Q2SB47VT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
PDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR4 (h) (60 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)


BindingDB Entry DOI: 10.7270/Q2SB47VT
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM339869
PNG
(US9757364, Compound 57)
Show SMILES COc1cc(OC)c(F)c(c1)N(CCCC#N)c1ccc2ncc(cc2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H23FN6O2/c1-30-15-17(14-28-30)16-10-20-19(27-13-16)6-7-23(29-20)31(9-5-4-8-26)21-11-18(32-2)12-22(33-3)24(21)25/h6-7,10-15H,4-5,9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



ASTEX THERAPEUTICS LTD

US Patent


Assay Description
In a final reaction volume of 30 μL, FGFR3 (h) (40 ng/ml) was incubated with 50 mM HEPES pH 7.5, 6 mM MnCl2, 1 mM DTT, 0.1 mM Na3VO4, 0.01% Trit...


US Patent US9757364 (2017)


BindingDB Entry DOI: 10.7270/Q2SB47VT
More data for this
Ligand-Target Pair