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BDBM14957 5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluorobenzamide::5-[2-(2-aminopyrimidin-5-yl)ethynyl]-N-(2-{[3-(dimethylamino)propyl](methyl)amino}-5-(trifluoromethyl)phenyl)-2-fluorobenzamide::alkynylpyrimidine amide 6h

SMILES: CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F

InChI Key: InChIKey=CPTZKLNMWGFJMW-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 = 14957   
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))
BDBM14957
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-((3-(dim...)
Show SMILES CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N6O/c1-35(2)11-4-12-36(3)23-10-8-19(26(28,29)30)14-22(23)34-24(37)20-13-17(7-9-21(20)27)5-6-18-15-32-25(31)33-16-18/h7-10,13-16H,4,11-12H2,1-3H3,(H,34,37)(H2,31,32,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 8n/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))
BDBM14957
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-((3-(dim...)
Show SMILES CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N6O/c1-35(2)11-4-12-36(3)23-10-8-19(26(28,29)30)14-22(23)34-24(37)20-13-17(7-9-21(20)27)5-6-18-15-32-25(31)33-16-18/h7-10,13-16H,4,11-12H2,1-3H3,(H,34,37)(H2,31,32,33)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 21n/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))
BDBM14957
PNG
(5-(2-(2-Aminopyrimidin-5-yl)ethynyl)-N-(2-((3-(dim...)
Show SMILES CN(C)CCCN(C)c1ccc(cc1NC(=O)c1cc(ccc1F)C#Cc1cnc(N)nc1)C(F)(F)F
Show InChI InChI=1S/C26H26F4N6O/c1-35(2)11-4-12-36(3)23-10-8-19(26(28,29)30)14-22(23)34-24(37)20-13-17(7-9-21(20)27)5-6-18-15-32-25(31)33-16-18/h7-10,13-16H,4,11-12H2,1-3H3,(H,34,37)(H2,31,32,33)
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 11n/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