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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lyn' and Ligand = 'BDBM340150'   
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))
BDBM340150
PNG
(US10239883, Example 39 | US10934296, Example 39 | ...)
Show SMILES CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C26H22F3N7O2/c1-4-5-20(37)35(3)15(2)24-34-21(22-23(30)32-12-13-36(22)24)16-6-8-17(9-7-16)25(38)33-19-14-18(10-11-31-19)26(27,28)29/h6-15H,1-3H3,(H2,30,32)(H,31,33,38)/t15-/m0/s1
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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 US9758524 (2017)


BindingDB Entry DOI: 10.7270/Q2GX4DPQ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM340150
PNG
(US10239883, Example 39 | US10934296, Example 39 | ...)
Show SMILES CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C26H22F3N7O2/c1-4-5-20(37)35(3)15(2)24-34-21(22-23(30)32-12-13-36(22)24)16-6-8-17(9-7-16)25(38)33-19-14-18(10-11-31-19)26(27,28)29/h6-15H,1-3H3,(H2,30,32)(H,31,33,38)/t15-/m0/s1
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MMDB

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UniProtKB/SwissProt

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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))
BDBM340150
PNG
(US10239883, Example 39 | US10934296, Example 39 | ...)
Show SMILES CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r|
Show InChI InChI=1S/C26H22F3N7O2/c1-4-5-20(37)35(3)15(2)24-34-21(22-23(30)32-12-13-36(22)24)16-6-8-17(9-7-16)25(38)33-19-14-18(10-11-31-19)26(27,28)29/h6-15H,1-3H3,(H2,30,32)(H,31,33,38)/t15-/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 Research Laboratories



Assay Description
Lyn enzyme (Millipore catalog #14-510), is diluted to 250 mU/mL in KR buffer (10 mM Tris-HCl, 10 mM MgCl2, 0.01% Tween-20, 0.05% NaN3, 1 mM DTT, 2 mM...


J Med Chem 48: 6169-73 (2005)


BindingDB Entry DOI: 10.7270/Q20R9RQ4
More data for this
Ligand-Target Pair