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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 = 'BDBM50233656'   
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))
BDBM50233656
PNG
(CHEMBL4083867)
Show SMILES Cn1ccc(n1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H24FN5O2/c1-35-11-9-25(34-35)26-15-22-21(7-10-32-29(22)33-26)20-3-2-4-27(23(20)16-37)36-12-8-18-13-19(17-5-6-17)14-24(31)28(18)30(36)38/h2-4,7-15,17,37H,5-6,16H2,1H3,(H,32,33)
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 9.5n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of BTK in human Ramos cells assessed as inhibition of anti human IgM-induced calcium influx preincubated for 20 mins in dark followed by a...


Bioorg Med Chem 23: 4344-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.023
BindingDB Entry DOI: 10.7270/Q25T3NR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50233656
PNG
(CHEMBL4083867)
Show SMILES Cn1ccc(n1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show InChI InChI=1S/C30H24FN5O2/c1-35-11-9-25(34-35)26-15-22-21(7-10-32-29(22)33-26)20-3-2-4-27(23(20)16-37)36-12-8-18-13-19(17-5-6-17)14-24(31)28(18)30(36)38/h2-4,7-15,17,37H,5-6,16H2,1H3,(H,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 21n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human His-tagged full length BTK expressed in baculovirus using biotin labeled peptide substrate after 1 hr by HRTF kinase/...


Bioorg Med Chem 23: 4344-53 (2015)


Article DOI: 10.1016/j.bmc.2015.06.023
BindingDB Entry DOI: 10.7270/Q25T3NR9
More data for this
Ligand-Target Pair