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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lyn' and Ligand = 'BDBM340125'   
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 Lyn


(Homo sapiens (Human))
BDBM340125
PNG
(US10934296, Example 13 | US9758524, Example 13)
Show SMILES Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H22FN7O2/c1-2-20(34)32-12-5-6-18(32)24-31-21(22-23(27)29-11-13-33(22)24)15-8-9-16(17(26)14-15)25(35)30-19-7-3-4-10-28-19/h2-4,7-11,13-14,18H,1,5-6,12H2,(H2,27,29)(H,28,30,35)/t18-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US10934296 (2021)


BindingDB Entry DOI: 10.7270/Q27947T2
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM340125
PNG
(US10934296, Example 13 | US9758524, Example 13)
Show SMILES Nc1nccn2c(nc(-c3ccc(C(=O)Nc4ccccn4)c(F)c3)c12)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H22FN7O2/c1-2-20(34)32-12-5-6-18(32)24-31-21(22-23(27)29-11-13-33(22)24)15-8-9-16(17(26)14-15)25(35)30-19-7-3-4-10-28-19/h2-4,7-11,13-14,18H,1,5-6,12H2,(H2,27,29)(H,28,30,35)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+3n/an/an/an/a



Merck Sharp & Dohme B.V.

US Patent


Assay Description
Lyn enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below.Lyn enzyme (M...


US Patent US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair