BindingDB logo
myBDB logout

9 similar compounds to monomer 185436

Compile data set for download or QSAR
Wt: 310.3
BDBM50059346
Wt: 344.3
BDBM185506
Wt: 342.3
BDBM185510
Wt: 286.3
BDBM185523
Wt: 342.3
BDBM185525
Wt: 328.3
BDBM185536
Wt: 298.3
BDBM185442
Wt: 316.3
BDBM185443
Wt: 328.3
BDBM185444

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50059346,185506,185510,185523,185525,185536,185442,185443,185444   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM185442
PNG
(US9156845, 91)
Show SMILES Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15FN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 9n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185444
PNG
(US9156845, 94)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 7n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 28n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185506
PNG
(US9156845, 160)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
Show InChI InChI=1S/C18H18F2N4O/c1-25-14-7-11(6-13(20)8-14)15-9-21-17-16(15)18(23-10-22-17)24-4-2-12(19)3-5-24/h6-10,12H,2-5H2,1H3,(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 84n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185510
PNG
(US9156845, 164)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-25-14-6-11(5-12(19)7-14)15-8-20-17-16(15)18(22-10-21-17)23-4-2-3-13(24)9-23/h5-8,10,13,24H,2-4,9H2,1H3,(H,20,21,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 29n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185523
PNG
(US9156845, 177)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N(C)C)c12
Show InChI InChI=1S/C15H15FN4O/c1-20(2)15-13-12(7-17-14(13)18-8-19-15)9-4-10(16)6-11(5-9)21-3/h4-8H,1-3H3,(H,17,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 41n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185525
PNG
(US9156845, 179)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185536
PNG
(US9156845, 190)
Show SMILES COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-13-4-2-3-12(18)14(13)11-9-19-16-15(11)17(21-10-20-16)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185442
PNG
(US9156845, 91)
Show SMILES Fc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H15FN4O/c17-12-3-1-2-11(8-12)13-9-18-15-14(13)16(20-10-19-15)21-4-6-22-7-5-21/h1-3,8-10H,4-7H2,(H,18,19,20)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 21n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185443
PNG
(US9156845, 92)
Show SMILES Fc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14F2N4O/c17-11-5-10(6-12(18)7-11)13-8-19-15-14(13)16(21-9-20-15)22-1-3-23-4-2-22/h5-9H,1-4H2,(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 238n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185444
PNG
(US9156845, 94)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-14-3-2-11(18)8-12(14)13-9-19-16-15(13)17(21-10-20-16)22-4-6-24-7-5-22/h2-3,8-10H,4-7H2,1H3,(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 46n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185506
PNG
(US9156845, 160)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCC(F)CC3)c12
Show InChI InChI=1S/C18H18F2N4O/c1-25-14-7-11(6-13(20)8-14)15-9-21-17-16(15)18(23-10-22-17)24-4-2-12(19)3-5-24/h6-10,12H,2-5H2,1H3,(H,21,22,23)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 96n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185510
PNG
(US9156845, 164)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCCC(O)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-25-14-6-11(5-12(19)7-14)15-8-20-17-16(15)18(22-10-21-17)23-4-2-3-13(24)9-23/h5-8,10,13,24H,2-4,9H2,1H3,(H,20,21,22)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185523
PNG
(US9156845, 177)
Show SMILES COc1cc(F)cc(c1)-c1c[nH]c2ncnc(N(C)C)c12
Show InChI InChI=1S/C15H15FN4O/c1-20(2)15-13-12(7-17-14(13)18-8-19-15)9-4-10(16)6-11(5-9)21-3/h4-8H,1-3H3,(H,17,18,19)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 49n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185525
PNG
(US9156845, 179)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(N3CCO[C@@H](C)C3)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-9-23(5-6-25-11)18-16-14(8-20-17(16)21-10-22-18)13-7-12(19)3-4-15(13)24-2/h3-4,7-8,10-11H,5-6,9H2,1-2H3,(H,20,21,22)/t11-/m0/s1
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185536
PNG
(US9156845, 190)
Show SMILES COc1cccc(F)c1-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H17FN4O2/c1-23-13-4-2-3-12(18)14(13)11-9-19-16-15(11)17(21-10-20-16)22-5-7-24-8-6-22/h2-4,9-10H,5-8H2,1H3,(H,19,20,21)
PDB

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 34n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 882n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length LRRK2 (unknown origin) expressed in HEK293 cells assessed as reduction in S935 phosphorylation incubated for 90 mins by ELI...


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM50059346
PNG
(CHEMBL3393354 | US9156845, 97)
Show SMILES COc1cccc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C17H18N4O2/c1-22-13-4-2-3-12(9-13)14-10-18-16-15(14)17(20-11-19-16)21-5-7-23-8-6-21/h2-4,9-11H,5-8H2,1H3,(H,18,19,20)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins


J Med Chem 58: 419-32 (2015)


Article DOI: 10.1021/jm5014055
BindingDB Entry DOI: 10.7270/Q2XS5X2W
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185443
PNG
(US9156845, 92)
Show SMILES Fc1cc(F)cc(c1)-c1c[nH]c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C16H14F2N4O/c17-11-5-10(6-12(18)7-11)13-8-19-15-14(13)16(21-9-20-15)22-1-3-23-4-2-22/h5-9H,1-4H2,(H,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 92n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair