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BDBM339828 US9757364, Compound 30

SMILES: CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F

InChI Key: InChIKey=MJHFGTHWKHPARC-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 = 339828   
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))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
PDB
MMDB

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UniProtKB/SwissProt

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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, 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))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
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UniChem
US Patent
n/an/a 3.63n/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))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
PDB
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n/an/a 22.9n/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))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 5.01n/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))
BDBM339828
PNG
(US9757364, Compound 30)
Show SMILES CNCCN(c1ccc2ncc(cc2n1)-c1cnn(C)c1)c1cc(OC)cc(OC)c1F
Show InChI InChI=1S/C23H25FN6O2/c1-25-7-8-30(20-10-17(31-3)11-21(32-4)23(20)24)22-6-5-18-19(28-22)9-15(12-26-18)16-13-27-29(2)14-16/h5-6,9-14,25H,7-8H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 3.47n/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