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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 = 'BDBM340144'   
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))
BDBM340144
PNG
((S)-4-(8-Amino-3-(1-(6-chloropyrimidine-4-carbonyl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|
Show InChI InChI=1S/C27H22ClN9O2/c28-20-14-18(32-15-33-20)27(39)36-12-3-4-19(36)25-35-22(23-24(29)31-11-13-37(23)25)16-6-8-17(9-7-16)26(38)34-21-5-1-2-10-30-21/h1-2,5-11,13-15,19H,3-4,12H2,(H2,29,31)(H,30,34,38)/t19-/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))
BDBM340144
PNG
((S)-4-(8-Amino-3-(1-(6-chloropyrimidine-4-carbonyl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|
Show InChI InChI=1S/C27H22ClN9O2/c28-20-14-18(32-15-33-20)27(39)36-12-3-4-19(36)25-35-22(23-24(29)31-11-13-37(23)25)16-6-8-17(9-7-16)26(38)34-21-5-1-2-10-30-21/h1-2,5-11,13-15,19H,3-4,12H2,(H2,29,31)(H,30,34,38)/t19-/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))
BDBM340144
PNG
((S)-4-(8-Amino-3-(1-(6-chloropyrimidine-4-carbonyl...)
Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)[C@@H]1CCCN1C(=O)c1cc(Cl)ncn1 |r|
Show InChI InChI=1S/C27H22ClN9O2/c28-20-14-18(32-15-33-20)27(39)36-12-3-4-19(36)25-35-22(23-24(29)31-11-13-37(23)25)16-6-8-17(9-7-16)26(38)34-21-5-1-2-10-30-21/h1-2,5-11,13-15,19H,3-4,12H2,(H2,29,31)(H,30,34,38)/t19-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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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