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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 = 'BDBM303540'   
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))
BDBM303540
PNG
(US10138229, Example 51 | US10875852, Example 51)
Show SMILES NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C24H23N3O3S/c1-2-20(28)27-14-6-7-17(15-27)24-26-21(22(31-24)23(25)29)16-10-12-19(13-11-16)30-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15H2,(H2,25,29)/t17-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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))
BDBM303540
PNG
(US10138229, Example 51 | US10875852, Example 51)
Show SMILES NC(=O)c1sc(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r|
Show InChI InChI=1S/C24H23N3O3S/c1-2-20(28)27-14-6-7-17(15-27)24-26-21(22(31-24)23(25)29)16-10-12-19(13-11-16)30-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15H2,(H2,25,29)/t17-/m1/s1
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 1.70n/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