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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 9802   
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
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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Article
PubMed
n/an/a 160n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM228657
PNG
(GSK3-XIII)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 200n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM50322535
PNG
(3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N...)
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc3cnc4cccnn34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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CHEMBL
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MMDB
PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 800n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM228657
PNG
(GSK3-XIII)
Show SMILES Cc1cc(Nc2nc(nc3ccccc23)-c2ccccc2)n[nH]1
Show InChI InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
DrugBank
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
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PC sid
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Article
PubMed
n/an/a 8.30E+3n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair
Leucine-rich repeat kinase 2 (LRRK2 t-WT)


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB

GoogleScholar
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+4n/an/an/an/a7.425



Harvard NeuroDiscovery Center



Assay Description
The kinase assays for phosphorylation of LRRKtide (RLGRDKYKTLRQIRQ) or LRRKtideS (RLGRDKYKSLRQIRQ) were conducted in buffer containing 20 mM HEPES (p...


J Biol Chem 289: 13042-53 (2014)


Article DOI: 10.1074/jbc.M113.537811
BindingDB Entry DOI: 10.7270/Q28S4NT5
More data for this
Ligand-Target Pair