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BDBM339819 US9757364, Compound 13

SMILES: CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1

InChI Key: InChIKey=OVZKBAUSZIANJA-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 = 339819   
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))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
PDB
MMDB

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UniChem
US Patent
n/an/a 1.29n/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))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
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n/an/a 3.24n/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))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
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n/an/a 18.2n/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))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
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US Patent
n/an/a 6.31n/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))
BDBM339819
PNG
(US9757364, Compound 13)
Show SMILES CCn1cc(cn1)-c1cnc2ccc(nc2c1)N(CCNC(C)C)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C26H32N6O2/c1-6-31-17-20(16-29-31)19-11-25-24(28-15-19)7-8-26(30-25)32(10-9-27-18(2)3)21-12-22(33-4)14-23(13-21)34-5/h7-8,11-18,27H,6,9-10H2,1-5H3
PDB
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UniChem
US Patent
n/an/a 3.55n/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