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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 303528   
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))
BDBM303528
PNG
(US10138229, Example 41 | US10875852, Example 41)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C26H25N5O3/c1-2-6-21(32)30-15-26(16-30)13-18(14-26)31-24(27)22(25(28)33)23(29-31)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,18H,13-16,27H2,1H3,(H2,28,33)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
An HTRF assay (Cisbio KinEASE-TK cat #62TK0PEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation of ...


US Patent US10875852 (2020)


BindingDB Entry DOI: 10.7270/Q2DN484H
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM303528
PNG
(US10138229, Example 41 | US10875852, Example 41)
Show SMILES CC#CC(=O)N1CC2(CC(C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C26H25N5O3/c1-2-6-21(32)30-15-26(16-30)13-18(14-26)31-24(27)22(25(28)33)23(29-31)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19/h3-5,7-12,18H,13-16,27H2,1H3,(H2,28,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.730n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
TBDAn HTRF assay (Cisbio KinEASE-TK cat #62TKOPEC) was performed to quantitate the ability of test compounds to inhibit BTK mediated phosphorylation ...


US Patent US10138229 (2018)


BindingDB Entry DOI: 10.7270/Q2CJ8GJJ
More data for this
Ligand-Target Pair