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BDBM339823 US9757364, Compound 16

SMILES: COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1

InChI Key: InChIKey=YWDKSGWRKAMORO-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 = 339823   
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))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.447n/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)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
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, 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)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB
MMDB

NCI pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.89n/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)

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


(Homo sapiens (Human))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.02n/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)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM339823
PNG
(US9757364, Compound 16)
Show SMILES COc1cc(OC)cc(c1)N(Cc1ncc[nH]1)c1ccc2ncc(-c3cnn(C)c3)c(Cl)c2n1
Show InChI InChI=1S/C24H22ClN7O2/c1-31-13-15(11-29-31)19-12-28-20-4-5-22(30-24(20)23(19)25)32(14-21-26-6-7-27-21)16-8-17(33-2)10-18(9-16)34-3/h4-13H,14H2,1-3H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.575n/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)

More data for this
Ligand-Target Pair