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BDBM14953 3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide::3-[2-(2-aminopyrimidin-5-yl)ethynyl]-4-methyl-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]benzamide::alkynylpyrimidine amide 6d

SMILES: Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F

InChI Key: InChIKey=KERAXCVZALMMNG-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 = 14953   
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))
BDBM14953
PNG
(3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(2...)
Show SMILES Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O/c1-17-5-7-20(13-19(17)8-6-18-15-31-25(30)32-16-18)24(35)33-22-14-21(26(27,28)29)9-10-23(22)34-11-3-2-4-12-34/h5,7,9-10,13-16H,2-4,11-12H2,1H3,(H,33,35)(H2,30,31,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 30n/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))
BDBM14953
PNG
(3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(2...)
Show SMILES Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O/c1-17-5-7-20(13-19(17)8-6-18-15-31-25(30)32-16-18)24(35)33-22-14-21(26(27,28)29)9-10-23(22)34-11-3-2-4-12-34/h5,7,9-10,13-16H,2-4,11-12H2,1H3,(H,33,35)(H2,30,31,32)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/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))
BDBM14953
PNG
(3-(2-(2-Aminopyrimidin-5-yl)ethynyl)-4-methyl-N-(2...)
Show SMILES Cc1ccc(cc1C#Cc1cnc(N)nc1)C(=O)Nc1cc(ccc1N1CCCCC1)C(F)(F)F
Show InChI InChI=1S/C26H24F3N5O/c1-17-5-7-20(13-19(17)8-6-18-15-31-25(30)32-16-18)24(35)33-22-14-21(26(27,28)29)9-10-23(22)34-11-3-2-4-12-34/h5,7,9-10,13-16H,2-4,11-12H2,1H3,(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

Similars

Article
PubMed
n/an/a>1.00E+3n/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