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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase ABL2' and Ligand = 'BDBM481137'   
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
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM481137
PNG
(US10906896, Cpd 8190 | US11725005, Compound 8190)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ns3)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(36-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)18-30(22)38-33-35-11-10-29(37-33)26-17-27(20-34-19-26)31-16-23(2)39-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,36,42)(H,35,37,38)
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 91n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2R215H9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM481137
PNG
(US10906896, Cpd 8190 | US11725005, Compound 8190)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)-c3cc(C)ns3)c2)CC1
Show InChI InChI=1S/C33H34N8OS/c1-22-4-9-28(36-32(42)25-7-5-24(6-8-25)21-41-14-12-40(3)13-15-41)18-30(22)38-33-35-11-10-29(37-33)26-17-27(20-34-19-26)31-16-23(2)39-43-31/h4-11,16-20H,12-15,21H2,1-3H3,(H,36,42)(H,35,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 91n/an/an/an/an/an/a



Inhibikase Therapeutics, Inc.

US Patent


Assay Description
Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...


US Patent US10906896 (2021)


BindingDB Entry DOI: 10.7270/Q2G44TCQ
More data for this
Ligand-Target Pair