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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50233385   
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))
BDBM50233385
PNG
(CHEMBL4062247)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1nn[nH]n1 |r|
Show InChI InChI=1S/C26H23F3N10O/c27-26(28,29)18-8-9-31-19(13-18)33-25(40)15-6-4-14(5-7-15)20-21-22(30)32-10-11-39(21)24(34-20)17-3-1-2-16(12-17)23-35-37-38-36-23/h4-11,13,16-17H,1-3,12H2,(H2,30,32)(H,31,33,40)(H,35,36,37,38)/t16-,17+/m0/s1
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PC cid
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Similars

Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Merck & Co Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N...


Bioorg Med Chem Lett 27: 1471-1477 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.079
BindingDB Entry DOI: 10.7270/Q20867K5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50233385
PNG
(CHEMBL4062247)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCC[C@@H](C1)c1nn[nH]n1 |r|
Show InChI InChI=1S/C26H23F3N10O/c27-26(28,29)18-8-9-31-19(13-18)33-25(40)15-6-4-14(5-7-15)20-21-22(30)32-10-11-39(21)24(34-20)17-3-1-2-16(12-17)23-35-37-38-36-23/h4-11,13,16-17H,1-3,12H2,(H2,30,32)(H,31,33,40)(H,35,36,37,38)/t16-,17+/m0/s1
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 1.59E+3n/an/an/an/an/an/a



Merck & Co Inc

Curated by ChEMBL


Assay Description
Inhibition of BTK in human PBMC


Bioorg Med Chem Lett 27: 1471-1477 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.079
BindingDB Entry DOI: 10.7270/Q20867K5
More data for this
Ligand-Target Pair