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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 = 'BDBM291393'   
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))
BDBM291393
PNG
((E)-1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C28H31N5O3/c1-32(2)14-6-9-24(34)33-17-28(18-33)15-23(16-28)36-27-25(26(29)30-19-31-27)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h3-13,19,23H,14-18H2,1-2H3,(H2,29,30,31)/b9-6+
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<100n/an/an/an/an/an/a



Merck Patent GmbH

US Patent


Assay Description
2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...


US Patent US10413562 (2019)


BindingDB Entry DOI: 10.7270/Q27M0B95
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM291393
PNG
((E)-1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...)
Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1
Show InChI InChI=1S/C28H31N5O3/c1-32(2)14-6-9-24(34)33-17-28(18-33)15-23(16-28)36-27-25(26(29)30-19-31-27)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h3-13,19,23H,14-18H2,1-2H3,(H2,29,30,31)/b9-6+
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<100n/an/an/an/a7.527



Merck Patent GmbH

US Patent


Assay Description
The following describes a microfluidic, off-chip mobility shift kinase assay used to measure inherent potency of compounds against BTK enzyme. Compou...


US Patent US9580449 (2017)


BindingDB Entry DOI: 10.7270/Q28K7C4Z
More data for this
Ligand-Target Pair