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PDB code 3BYS

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SRC

  (277/277 = 100%)
(Homo sapiens (human))
BDBM26366
PNG
(4-methyl-3-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc1
Show InChI InChI=1S/C31H30F3N7O2/c1-20-6-7-21(28(42)37-24-5-3-4-22(17-24)31(32,33)34)16-27(20)29(43)38-25-18-35-30(36-19-25)39-23-8-10-26(11-9-23)41-14-12-40(2)13-15-41/h3-11,16-19H,12-15H2,1-2H3,(H,37,42)(H,38,43)(H,35,36,39)
PDB
MMDB

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PDB
Article
PubMed
n/an/a 0.5n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 1 hit Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
SRC

  (277/277 = 100%)
(Homo sapiens (human))
BDBM26365
PNG
(3-N-(2-aminopyrimidin-5-yl)-4-methyl-1-N-[3-(trifl...)
Show SMILES Cc1ccc(cc1C(=O)Nc1cnc(N)nc1)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C20H16F3N5O2/c1-11-5-6-12(7-16(11)18(30)28-15-9-25-19(24)26-10-15)17(29)27-14-4-2-3-13(8-14)20(21,22)23/h2-10H,1H3,(H,27,29)(H,28,30)(H2,24,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 15n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output