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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 = 'BDBM340133'   
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))
BDBM340133
PNG
(US10239883, Example 21 | US10934296, Example 21 | ...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|
Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/m0/s1
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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))
BDBM340133
PNG
(US10239883, Example 21 | US10934296, Example 21 | ...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|
Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/m0/s1
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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))
BDBM340133
PNG
(US10239883, Example 21 | US10934296, Example 21 | ...)
Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C)n3ccnc(N)c23)n1 |r|
Show InChI InChI=1S/C26H26N8O2/c1-3-20(35)33-14-5-4-6-19(33)24-31-21(22-23(27)28-13-15-34(22)24)17-7-9-18(10-8-17)25(36)32-26-29-12-11-16(2)30-26/h3,7-13,15,19H,1,4-6,14H2,2H3,(H2,27,28)(H,29,30,32,36)/t19-/m0/s1
PDB
MMDB

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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