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Patent code US9809568

Compile Data Set for Download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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 serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352923
PNG
(US9809568, 10)
Show SMILES Cn1cc(cn1)-c1cc(F)c2[nH]nc(-c3ccnc(c3)N3CC(F)C3)c2c1
Show InChI InChI=1S/C19H16F2N6/c1-26-8-13(7-23-26)12-4-15-18(24-25-19(15)16(21)5-12)11-2-3-22-17(6-11)27-9-14(20)10-27/h2-8,14H,9-10H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352919
PNG
(US9809568, 4)
Show SMILES CC(C)Oc1cc(F)c2nnc(-c3ccnc(c3)N3CCOCC3)c2c1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352920
PNG
(US9809568, 6)
Show SMILES Fc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnccn1
Show InChI InChI=1S/C20H17FN6O/c21-16-10-14(17-12-22-3-4-23-17)9-15-19(25-26-20(15)16)13-1-2-24-18(11-13)27-5-7-28-8-6-27/h1-4,9-12H,5-8H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 58n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352921
PNG
(US9809568, 7)
Show SMILES Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCOCC1)-c1cnn(C)c1
Show InChI InChI=1S/C21H22N6O/c1-14-9-16(17-12-23-26(2)13-17)10-18-20(14)24-25-21(18)15-3-4-22-19(11-15)27-5-7-28-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 199n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352924
PNG
(US9809568, 11)
Show SMILES Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CCN(CC1)S(C)(=O)=O)-c1cnn(C)c1
Show InChI InChI=1S/C22H25N7O2S/c1-15-10-17(18-13-24-27(2)14-18)11-19-21(15)25-26-22(19)16-4-5-23-20(12-16)28-6-8-29(9-7-28)32(3,30)31/h4-5,10-14H,6-9H2,1-3H3,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 218n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352922
PNG
(US9809568, 8)
Show SMILES Cn1cc(cn1)-c1cc(Cl)c2[nH]nc(-c3ccnc(c3)N3CCOCC3)c2c1
Show InChI InChI=1S/C20H19ClN6O/c1-26-12-15(11-23-26)14-8-16-19(24-25-20(16)17(21)9-14)13-2-3-22-18(10-13)27-4-6-28-7-5-27/h2-3,8-12H,4-7H2,1H3,(H,24,25)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 309n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM352925
PNG
(US9809568, 12)
Show SMILES Cc1cc(cc2c(n[nH]c12)-c1ccnc(c1)N1CC[C@@H](F)C1)-c1cnn(C)c1
Show InChI InChI=1S/C21H21FN6/c1-13-7-15(16-10-24-27(2)11-16)8-18-20(13)25-26-21(18)14-3-5-23-19(9-14)28-6-4-17(22)12-28/h3,5,7-11,17H,4,6,12H2,1-2H3,(H,25,26)/t17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 380n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 μM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384...


US Patent US9809568 (2017)


BindingDB Entry DOI: 10.7270/Q2W66NWJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%