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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 = 'BDBM50233649'   
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))
BDBM50233649
PNG
(CHEMBL4081221)
Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C32H24FN3O3/c33-27-15-21(18-4-5-18)14-20-11-13-36(32(39)30(20)27)29-3-1-2-23(26(29)17-37)24-10-12-34-31-25(24)16-28(35-31)19-6-8-22(38)9-7-19/h1-3,6-16,18,37-38H,4-5,17H2,(H,34,35)
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 40n/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
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50233649
PNG
(CHEMBL4081221)
Show SMILES OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ccnc2[nH]c(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C32H24FN3O3/c33-27-15-21(18-4-5-18)14-20-11-13-36(32(39)30(20)27)29-3-1-2-23(26(29)17-37)24-10-12-34-31-25(24)16-28(35-31)19-6-8-22(38)9-7-19/h1-3,6-16,18,37-38H,4-5,17H2,(H,34,35)
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 110n/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