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PDB code 4ID7

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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
Activated CDC42 kinase 1

  (273/273 = 100%)
(Homo sapiens (Human))
BDBM98199
PNG
(US8481733, 10)
Show SMILES Nc1nccn2c(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1C[C@H](O)C1 |r,wU:23.26,25.29,(-5.14,3.1,;-5.14,1.56,;-6.48,.79,;-6.48,-.75,;-5.14,-1.52,;-3.81,-.75,;-2.34,-1.23,;-1.44,.02,;-2.34,1.26,;-1.25,2.35,;.23,1.95,;1.32,3.04,;.92,4.53,;2.01,5.62,;3.5,5.22,;3.9,3.73,;5.39,3.33,;6.48,4.42,;6.08,5.91,;4.59,6.31,;-.56,4.93,;-1.65,3.84,;-3.81,.79,;-1.94,-2.72,;-2.71,-4.05,;-1.38,-4.82,;-.98,-6.31,;-.61,-3.49,)|
Show InChI InChI=1S/C22H20N4O2/c23-21-20-19(25-22(15-12-16(27)13-15)26(20)11-10-24-21)14-6-8-18(9-7-14)28-17-4-2-1-3-5-17/h1-11,15-16,27H,12-13H2,(H2,23,24)/t15-,16+
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KEGG

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Similars

PDB
US Patent
n/an/a 153n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

US Patent


Assay Description
AlphaScreen (amplified luminescent proximity homogeneous assay) assay was used to test for ACK1 inhibitory activity.


US Patent US8481733 (2013)


BindingDB Entry DOI: 10.7270/Q2XD109J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

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