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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 = 'BDBM377759'   
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))
BDBM377759
PNG
(5-amino-3-[4-(3-chlorophenoxy)- phenyl]-1-(1-cyano...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(Cl)c2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H21ClN6O2/c23-15-3-1-5-18(11-15)31-17-8-6-14(7-9-17)20-19(22(26)30)21(25)29(27-20)16-4-2-10-28(12-16)13-24/h1,3,5-9,11,16H,2,4,10,12,25H2,(H2,26,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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))
BDBM377759
PNG
(5-amino-3-[4-(3-chlorophenoxy)- phenyl]-1-(1-cyano...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(Cl)c2)cc1)C1CCCN(C1)C#N
Show InChI InChI=1S/C22H21ClN6O2/c23-15-3-1-5-18(11-15)31-17-8-6-14(7-9-17)20-19(22(26)30)21(25)29(27-20)16-4-2-10-28(12-16)13-24/h1,3,5-9,11,16H,2,4,10,12,25H2,(H2,26,30)
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



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