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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase Lyn' and Ligand = 'BDBM340128'   
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))
BDBM340128
PNG
(US10239883, Example 16 | US10934296, Example 16 | ...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1
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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))
BDBM340128
PNG
(US10239883, Example 16 | US10934296, Example 16 | ...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1
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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))
BDBM340128
PNG
(US10239883, Example 16 | US10934296, Example 16 | ...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1
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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))
BDBM340128
PNG
(US10239883, Example 16 | US10934296, Example 16 | ...)
Show SMILES COC\C=C\C(=O)N1CCCC[C@H]1c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r|
Show InChI InChI=1S/C28H29N7O3/c1-38-18-6-9-23(36)34-16-5-3-7-21(34)27-33-24(25-26(29)31-15-17-35(25)27)19-10-12-20(13-11-19)28(37)32-22-8-2-4-14-30-22/h2,4,6,8-15,17,21H,3,5,7,16,18H2,1H3,(H2,29,31)(H,30,32,37)/b9-6+/t21-/m0/s1
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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