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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 303585   
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))
BDBM303585
PNG
(US10138229, Example 97 | US10875852, Example 97)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(CC(C2)NC(=O)C=C)C1
Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)29-17-12-26(13-17)14-18(15-26)31-24(27)22(25(28)33)23(30-31)16-8-10-20(11-9-16)34-19-6-4-3-5-7-19/h2-11,17-18H,1,12-15,27H2,(H2,28,33)(H,29,32)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/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))
BDBM303585
PNG
(US10138229, Example 97 | US10875852, Example 97)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CC2(CC(C2)NC(=O)C=C)C1
Show InChI InChI=1S/C26H27N5O3/c1-2-21(32)29-17-12-26(13-17)14-18(15-26)31-24(27)22(25(28)33)23(30-31)16-8-10-20(11-9-16)34-19-6-4-3-5-7-19/h2-11,17-18H,1,12-15,27H2,(H2,28,33)(H,29,32)
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 0.800n/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