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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 = 'BDBM50064865'   
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))
BDBM50064865
PNG
(CHEMBL3401290)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r|
Show InChI InChI=1S/C33H38N6O2S/c1-21-26(9-7-10-27(21)36-32(40)30-18-22-8-5-6-11-29(22)42-30)28-20-38(4)33(41)31(35-28)34-23-12-14-24(15-13-23)39-17-16-25(19-39)37(2)3/h7,9-10,12-15,18,20,25H,5-6,8,11,16-17,19H2,1-4H3,(H,34,35)(H,36,40)/t25-/m1/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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)
BDBM50064865
PNG
(CHEMBL3401290)
Show SMILES CN(C)[C@@H]1CCN(C1)c1ccc(Nc2nc(cn(C)c2=O)-c2cccc(NC(=O)c3cc4CCCCc4s3)c2C)cc1 |r|
Show InChI InChI=1S/C33H38N6O2S/c1-21-26(9-7-10-27(21)36-32(40)30-18-22-8-5-6-11-29(22)42-30)28-20-38(4)33(41)31(35-28)34-23-12-14-24(15-13-23)39-17-16-25(19-39)37(2)3/h7,9-10,12-15,18,20,25H,5-6,8,11,16-17,19H2,1-4H3,(H,34,35)(H,36,40)/t25-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 800n/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