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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 = 'BDBM377835'   
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))
BDBM377835
PNG
(5-amino-1-{(3R)-1-[(2E)-4-hydroxybut-2-enoyl]piper...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
Show InChI InChI=1S/C25H27N5O4/c26-24-22(25(27)33)23(17-10-12-20(13-11-17)34-19-7-2-1-3-8-19)28-30(24)18-6-4-14-29(16-18)21(32)9-5-15-31/h1-3,5,7-13,18,31H,4,6,14-16,26H2,(H2,27,33)/b9-5+/t18-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 1n/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))
BDBM377835
PNG
(5-amino-1-{(3R)-1-[(2E)-4-hydroxybut-2-enoyl]piper...)
Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r|
Show InChI InChI=1S/C25H27N5O4/c26-24-22(25(27)33)23(17-10-12-20(13-11-17)34-19-7-2-1-3-8-19)28-30(24)18-6-4-14-29(16-18)21(32)9-5-15-31/h1-3,5,7-13,18,31H,4,6,14-16,26H2,(H2,27,33)/b9-5+/t18-/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 1n/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