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BDBM50327080 1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]phenyl}-3-[3-morpholin-4-yl-5-(trifluoromethyl)-phenyl]urea::CHEMBL1254927

SMILES: Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12

InChI Key: InChIKey=FABQZDSYMCCCAA-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50327080   
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))
BDBM50327080
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-5-4-21-22(34)23(31-14-30-21)38-18-2-3-20(19(26)13-18)33-24(36)32-16-10-15(25(27,28)29)11-17(12-16)35-6-8-37-9-7-35/h2-5,10-14H,6-9H2,1H3,(H2,32,33,36)
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MMDB

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human FGFR1 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50327080
PNG
(1-{2-Chloro-4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidi...)
Show SMILES Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cc(cc(c4)C(F)(F)F)N4CCOCC4)c(Cl)c3)c12
Show InChI InChI=1S/C25H22ClF3N6O3/c1-34-5-4-21-22(34)23(31-14-30-21)38-18-2-3-20(19(26)13-18)33-24(36)32-16-10-15(25(27,28)29)11-17(12-16)35-6-8-37-9-7-35/h2-5,10-14H,6-9H2,1H3,(H2,32,33,36)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human VEGFR2 expressed in Sf9 cells


Bioorg Med Chem 18: 7150-63 (2010)


Article DOI: 10.1016/j.bmc.2010.08.042
BindingDB Entry DOI: 10.7270/Q2HM58PN
More data for this
Ligand-Target Pair