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PDB code 5ZXB

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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine kinase non-receptor protein 2

  (275/275 = 100%)
(Homo sapiens (Human))
BDBM50459208
PNG
(CHEMBL4214342)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of ACK1 (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
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