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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 = 'BDBM50463563'   
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))
BDBM50463563
PNG
(CHEMBL4240731)
Show SMILES C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show InChI InChI=1S/C27H31N3O3/c1-5-7-23(31)29-21-9-6-8-17(15(21)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-22(19)30-25/h5-9,12-13,16,30,33H,10-11,14H2,1-4H3,(H2,28,32)(H,29,31)/b7-5+
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full-length His-tagged BTK cytoplasmic domain expressed in baculovirus expression system using fluorescence-labelled ...


Bioorg Med Chem Lett 28: 3080-3084 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.041
BindingDB Entry DOI: 10.7270/Q2NZ8B9C
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50463563
PNG
(CHEMBL4240731)
Show SMILES C\C=C\C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
Show InChI InChI=1S/C27H31N3O3/c1-5-7-23(31)29-21-9-6-8-17(15(21)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-22(19)30-25/h5-9,12-13,16,30,33H,10-11,14H2,1-4H3,(H2,28,32)(H,29,31)/b7-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Ramos cells assessed as reduction in intracellular calcium level incubated for 1 hr measured for 180 secs by FLIPR assay


Bioorg Med Chem Lett 28: 3080-3084 (2018)


Article DOI: 10.1016/j.bmcl.2018.07.041
BindingDB Entry DOI: 10.7270/Q2NZ8B9C
More data for this
Ligand-Target Pair