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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 = 'BDBM377745'   
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))
BDBM377745
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2-fluoro-4...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(F)c1
Show InChI InChI=1S/C23H23FN6O2/c1-14-4-9-19(18(24)11-14)32-17-7-5-15(6-8-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)
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 1.10n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
BTK: TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide p...


US Patent US10815213 (2020)


BindingDB Entry DOI: 10.7270/Q2W95D87
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM377745
PNG
(5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2-fluoro-4...)
Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(F)c1
Show InChI InChI=1S/C23H23FN6O2/c1-14-4-9-19(18(24)11-14)32-17-7-5-15(6-8-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)
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 1.10n/an/an/an/an/an/a



Institut Claudius Regaud



Assay Description
TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...


J Med Chem 48: 287-91 (2005)


BindingDB Entry DOI: 10.7270/Q2P271FD
More data for this
Ligand-Target Pair