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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Yes' and Ligand = 'BDBM50198805'   
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 Yes


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



TargeGen Inc.

Curated by ChEMBL


Assay Description
Inhibition of YES


J Med Chem 51: 1546-59 (2008)


Article DOI: 10.1021/jm7011276
BindingDB Entry DOI: 10.7270/Q2NV9K3X
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50198805
PNG
(5-methyl-7-phenyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)...)
Show SMILES Cc1cc(cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12)-c1ccccc1
Show InChI InChI=1S/C26H27N5O/c1-19-17-21(20-7-3-2-4-8-20)18-24-25(19)28-26(30-29-24)27-22-9-11-23(12-10-22)32-16-15-31-13-5-6-14-31/h2-4,7-12,17-18H,5-6,13-16H2,1H3,(H,27,28,30)
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

US Patent
n/an/a 111n/an/an/an/an/a25



TargeGen, Inc.

US Patent


Assay Description
Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp.


US Patent US8481536 (2013)


BindingDB Entry DOI: 10.7270/Q2GB22PZ
More data for this
Ligand-Target Pair