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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase BTK' and Ligand = 'BDBM50064871'   
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 BTK


(Homo sapiens (Human))
BDBM50064871
PNG
(CHEMBL3401273)
Show SMILES Cc1c(NC(=O)c2cnc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-28(40)22-17-33-31(34-18-22)32(2,3)4)26-19-38(5)30(42)27(36-26)35-23-11-9-21(10-12-23)29(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40)
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KEGG

UniProtKB/SwissProt

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DrugBank
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK (unknown origin) by Lanthascreen method


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Mus musculus)
BDBM50064871
PNG
(CHEMBL3401273)
Show SMILES Cc1c(NC(=O)c2cnc(nc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1
Show InChI InChI=1S/C32H35N7O4/c1-20-24(7-6-8-25(20)37-28(40)22-17-33-31(34-18-22)32(2,3)4)26-19-38(5)30(42)27(36-26)35-23-11-9-21(10-12-23)29(41)39-13-15-43-16-14-39/h6-12,17-19H,13-16H2,1-5H3,(H,35,36)(H,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of BTK-mediated CD86 surface expression in Balb/c mouse splenocytes preincubated for 60 mins before F(ab')2 anti-mouse IgM measured after ...


Bioorg Med Chem Lett 25: 1333-7 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.032
BindingDB Entry DOI: 10.7270/Q26Q1ZXS
More data for this
Ligand-Target Pair