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BDBM249395 US9434697, 107::US9730931, Compound 107

SMILES: COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl

InChI Key: InChIKey=IOCUPPAUQZXBRS-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 249395   
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 4


(Homo sapiens (Human))
BDBM249395
PNG
(US9434697, 107 | US9730931, Compound 107)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl
Show InChI InChI=1S/C28H25Cl2N7O4/c1-4-24(38)35-19-10-6-5-9-18(19)34-22-13-23(33-16-32-22)37(15-17-8-7-11-31-14-17)28(39)36-27-25(29)20(40-2)12-21(41-3)26(27)30/h4-14,16H,1,15H2,2-3H3,(H,35,38)(H,36,39)(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.525



Eisai R&D Management Co., Ltd

US Patent


Assay Description
Compounds were profiled for FGFR inhibition activity at Reaction Biology Corporation (Malvern, Pa.) with their Kinase HotSpot assay. See, Anastassiad...


US Patent US9434697 (2016)


BindingDB Entry DOI: 10.7270/Q2K07351
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249395
PNG
(US9434697, 107 | US9730931, Compound 107)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl
Show InChI InChI=1S/C28H25Cl2N7O4/c1-4-24(38)35-19-10-6-5-9-18(19)34-22-13-23(33-16-32-22)37(15-17-8-7-11-31-14-17)28(39)36-27-25(29)20(40-2)12-21(41-3)26(27)30/h4-14,16H,1,15H2,2-3H3,(H,35,38)(H,36,39)(H,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 720n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd

US Patent


Assay Description
Recombinant FGFR1 (2.5 nM), FGFR2 (1 nM), FGFR3 (5 nM), or FGFR4 (12 nM) (Invitrogen™) was prepared as a mixture with substrate KKKSPGEYVNIEFG (...


US Patent US9730931 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2542QPZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))
BDBM249395
PNG
(US9434697, 107 | US9730931, Compound 107)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl
Show InChI InChI=1S/C28H25Cl2N7O4/c1-4-24(38)35-19-10-6-5-9-18(19)34-22-13-23(33-16-32-22)37(15-17-8-7-11-31-14-17)28(39)36-27-25(29)20(40-2)12-21(41-3)26(27)30/h4-14,16H,1,15H2,2-3H3,(H,35,38)(H,36,39)(H,32,33,34)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a<1n/an/an/an/an/an/a



Eisai R&D Management Co., Ltd

US Patent


Assay Description
Purified, recombinant FGFR4 was pre-incubated with 10 μM compound overnight at 4 C., or for 1 hour at room temperature. Following pre-incubatio...


US Patent US9730931 (2017)


Article DOI: 10.1021/jm060666p
BindingDB Entry DOI: 10.7270/Q2542QPZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM249395
PNG
(US9434697, 107 | US9730931, Compound 107)
Show SMILES COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl
Show InChI InChI=1S/C28H25Cl2N7O4/c1-4-24(38)35-19-10-6-5-9-18(19)34-22-13-23(33-16-32-22)37(15-17-8-7-11-31-14-17)28(39)36-27-25(29)20(40-2)12-21(41-3)26(27)30/h4-14,16H,1,15H2,2-3H3,(H,35,38)(H,36,39)(H,32,33,34)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 720n/an/an/an/a7.525



Eisai R&D Management Co., Ltd

US Patent


Assay Description
Compounds were profiled for FGFR inhibition activity at Reaction Biology Corporation (Malvern, Pa.) with their Kinase HotSpot assay. See, Anastassiad...


US Patent US9434697 (2016)


BindingDB Entry DOI: 10.7270/Q2K07351
More data for this
Ligand-Target Pair