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BDBM14955 5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-2-fluoro-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide::5-[2-(2-aminopyrimidin-5-yl)ethynyl]-2-fluoro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide::alkynylpyrimidine amide 6f

SMILES: Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F

InChI Key: InChIKey=LGOFNTKAZMUZQC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 14955   
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
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM14955
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-2-fluoro-N-(2...)
Show SMILES Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O/c26-20-8-6-16(4-5-17-14-31-24(30)32-15-17)12-19(20)23(35)33-21-13-18(25(27,28)29)7-9-22(21)34-10-2-1-3-11-34/h6-9,12-15H,1-3,10-11H2,(H,33,35)(H2,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 17n/an/an/an/a7.522



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 50: 627-40 (2007)


Article DOI: 10.1021/jm061112p
BindingDB Entry DOI: 10.7270/Q2R49P1Z
More data for this
Ligand-Target Pair
Lck


(Homo sapiens (Human))
BDBM14955
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-2-fluoro-N-(2...)
Show SMILES Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O/c26-20-8-6-16(4-5-17-14-31-24(30)32-15-17)12-19(20)23(35)33-21-13-18(25(27,28)29)7-9-22(21)34-10-2-1-3-11-34/h6-9,12-15H,1-3,10-11H2,(H,33,35)(H2,30,31,32)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 50: 627-40 (2007)


Article DOI: 10.1021/jm061112p
BindingDB Entry DOI: 10.7270/Q2R49P1Z
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM14955
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-2-fluoro-N-(2...)
Show SMILES Nc1ncc(cn1)C#Cc1ccc(F)c(c1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C25H21F4N5O/c26-20-8-6-16(4-5-17-14-31-24(30)32-15-17)12-19(20)23(35)33-21-13-18(25(27,28)29)7-9-22(21)34-10-2-1-3-11-34/h6-9,12-15H,1-3,10-11H2,(H,33,35)(H2,30,31,32)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Amgen



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 50: 627-40 (2007)


Article DOI: 10.1021/jm061112p
BindingDB Entry DOI: 10.7270/Q2R49P1Z
More data for this
Ligand-Target Pair