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Patent code US10913744

Compile Data Set for Download or QSAR
Found 54 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481873
PNG
(US10913744, Compound 12)
Show SMILES CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C20H24N6O3/c1-3-21-17-14-6-7-22-18(14)25-20(24-17)23-15-5-4-13(12-16(15)28-2)19(27)26-8-10-29-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H3,21,22,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481880
PNG
(US10913744, Compound 19)
Show SMILES CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C20H23ClN6O3/c1-3-22-17-16-13(21)11-23-18(16)26-20(25-17)24-14-5-4-12(10-15(14)29-2)19(28)27-6-8-30-9-7-27/h4-5,10-11H,3,6-9H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481874
PNG
(US10913744, Compound 13)
Show SMILES CCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C21H26N6O3/c1-3-7-22-18-15-6-8-23-19(15)26-21(25-18)24-16-5-4-14(13-17(16)29-2)20(28)27-9-11-30-12-10-27/h4-6,8,13H,3,7,9-12H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481877
PNG
(US10913744, Compound 16)
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H21FN6O3/c1-21-16-11-3-4-22-17(11)25-19(24-16)23-14-10-13(20)12(9-15(14)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
PDB
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481876
PNG
(US10913744, Compound 15)
Show SMILES COc1cc(ccc1Nc1nc(NC2CC2)c2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24N6O3/c1-29-17-12-13(20(28)27-8-10-30-11-9-27)2-5-16(17)24-21-25-18-15(6-7-22-18)19(26-21)23-14-3-4-14/h2,5-7,12,14H,3-4,8-11H2,1H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481874
PNG
(US10913744, Compound 13)
Show SMILES CCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C21H26N6O3/c1-3-7-22-18-15-6-8-23-19(15)26-21(25-18)24-16-5-4-14(13-17(16)29-2)20(28)27-9-11-30-12-10-27/h4-6,8,13H,3,7,9-12H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481873
PNG
(US10913744, Compound 12)
Show SMILES CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C20H24N6O3/c1-3-21-17-14-6-7-22-18(14)25-20(24-17)23-15-5-4-13(12-16(15)28-2)19(27)26-8-10-29-11-9-26/h4-7,12H,3,8-11H2,1-2H3,(H3,21,22,23,24,25)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481869
PNG
(BDBM481884 | US10913744, Compound 8)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H22N6O3/c1-20-16-13-5-6-21-17(13)24-19(23-16)22-14-4-3-12(11-15(14)27-2)18(26)25-7-9-28-10-8-25/h3-6,11H,7-10H2,1-2H3,(H3,20,21,22,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481883
PNG
(US10913744, Compound 22)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2nc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N6O4/c1-26-13-9-11(17(25)24-5-7-28-8-6-24)3-4-12(13)21-18-22-15-14(19-10-20-15)16(23-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481883
PNG
(US10913744, Compound 22)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2nc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N6O4/c1-26-13-9-11(17(25)24-5-7-28-8-6-24)3-4-12(13)21-18-22-15-14(19-10-20-15)16(23-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481872
PNG
(US10913744, Compound 11)
Show SMILES COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C21H26N6O4/c1-29-10-7-23-19-15-5-6-22-18(15)25-21(26-19)24-16-4-3-14(13-17(16)30-2)20(28)27-8-11-31-12-9-27/h3-6,13H,7-12H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481875
PNG
(US10913744, Compound 14)
Show SMILES COc1cc(ccc1Nc1nc(NCC2CCCO2)c2cc[nH]c2n1)C(=O)N1CCOCC1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481869
PNG
(BDBM481884 | US10913744, Compound 8)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H22N6O3/c1-20-16-13-5-6-21-17(13)24-19(23-16)22-14-4-3-12(11-15(14)27-2)18(26)25-7-9-28-10-8-25/h3-6,11H,7-10H2,1-2H3,(H3,20,21,22,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481872
PNG
(US10913744, Compound 11)
Show SMILES COCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C21H26N6O4/c1-29-10-7-23-19-15-5-6-22-18(15)25-21(26-19)24-16-4-3-14(13-17(16)30-2)20(28)27-8-11-31-12-9-27/h3-6,13H,7-12H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481880
PNG
(US10913744, Compound 19)
Show SMILES CCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C20H23ClN6O3/c1-3-22-17-16-13(21)11-23-18(16)26-20(25-17)24-14-5-4-12(10-15(14)29-2)19(28)27-6-8-30-9-7-27/h4-5,10-11H,3,6-9H2,1-2H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481875
PNG
(US10913744, Compound 14)
Show SMILES COc1cc(ccc1Nc1nc(NCC2CCCO2)c2cc[nH]c2n1)C(=O)N1CCOCC1
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481876
PNG
(US10913744, Compound 15)
Show SMILES COc1cc(ccc1Nc1nc(NC2CC2)c2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24N6O3/c1-29-17-12-13(20(28)27-8-10-30-11-9-27)2-5-16(17)24-21-25-18-15(6-7-22-18)19(26-21)23-14-3-4-14/h2,5-7,12,14H,3-4,8-11H2,1H3,(H3,22,23,24,25,26)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481869
PNG
(BDBM481884 | US10913744, Compound 8)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H22N6O3/c1-20-16-13-5-6-21-17(13)24-19(23-16)22-14-4-3-12(11-15(14)27-2)18(26)25-7-9-28-10-8-25/h3-6,11H,7-10H2,1-2H3,(H3,20,21,22,23,24)
PDB

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.10n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM482157
PNG
(BDBM50379529 | LRRK2-IN-1)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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US Patent
n/an/a 6n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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US Patent
n/an/a 6.10n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
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US Patent
n/an/a 6.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
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US Patent
n/an/a 6.60n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481877
PNG
(US10913744, Compound 16)
Show SMILES CNc1nc(Nc2cc(F)c(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H21FN6O3/c1-21-16-11-3-4-22-17(11)25-19(24-16)23-14-10-13(20)12(9-15(14)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
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US Patent
n/an/a 7.10n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481881
PNG
(US10913744, Compound 20)
Show SMILES CCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C21H25ClN6O3/c1-3-6-23-18-17-14(22)12-24-19(17)27-21(26-18)25-15-5-4-13(11-16(15)30-2)20(29)28-7-9-31-10-8-28/h4-5,11-12H,3,6-10H2,1-2H3,(H3,23,24,25,26,27)
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US Patent
n/an/a 7.70n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
PDB

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US Patent
n/an/a 7.80n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM482159
PNG
(BDBM50401284 | GSK2578215A)
Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)
PDB

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US Patent
n/an/a 8.90n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM482159
PNG
(BDBM50401284 | GSK2578215A)
Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)
PDB

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US Patent
n/an/a 10.9n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481869
PNG
(BDBM481884 | US10913744, Compound 8)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]ccc12
Show InChI InChI=1S/C19H22N6O3/c1-20-16-13-5-6-21-17(13)24-19(23-16)22-14-4-3-12(11-15(14)27-2)18(26)25-7-9-28-10-8-25/h3-6,11H,7-10H2,1-2H3,(H3,20,21,22,23,24)
PDB

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US Patent
n/an/a 11.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481881
PNG
(US10913744, Compound 20)
Show SMILES CCCNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C21H25ClN6O3/c1-3-6-23-18-17-14(22)12-24-19(17)27-21(26-18)25-15-5-4-13(11-16(15)30-2)20(29)28-7-9-31-10-8-28/h4-5,11-12H,3,6-10H2,1-2H3,(H3,23,24,25,26,27)
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US Patent
n/an/a 12.4n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM482157
PNG
(BDBM50379529 | LRRK2-IN-1)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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US Patent
n/an/a 13n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481870
PNG
(Synthesis of (3-methoxy-4-((4-methoxy-7H-pyrrolo[2...)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-11-12(18(25)24-7-9-28-10-8-24)3-4-14(15)21-19-22-16-13(5-6-20-16)17(23-19)27-2/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22,23)
PDB

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US Patent
n/an/a 13.6n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481885
PNG
(US10913744, Compound 24)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2cn[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N6O4/c1-26-14-9-11(17(25)24-5-7-28-8-6-24)3-4-13(14)20-18-21-15-12(10-19-23-15)16(22-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
PDB

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US Patent
n/an/a 18.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481885
PNG
(US10913744, Compound 24)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2cn[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H20N6O4/c1-26-14-9-11(17(25)24-5-7-28-8-6-24)3-4-13(14)20-18-21-15-12(10-19-23-15)16(22-18)27-2/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22,23)
PDB

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US Patent
n/an/a 19.4n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
PDB
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n/an/a 19.8n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
PDB

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US Patent
n/an/a 20.3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S)


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
PDB
MMDB

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US Patent
n/an/a 21.9n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481871
PNG
(US10913744, Compound 10)
Show SMILES COc1cc(ccc1Nc1ncc2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H19N5O3/c1-25-15-10-12(17(24)23-6-8-26-9-7-23)2-3-14(15)21-18-20-11-13-4-5-19-16(13)22-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
PDB

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US Patent
n/an/a 34n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481882
PNG
(US10913744, Compound 21)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cnc12
Show InChI InChI=1S/C18H21N7O3/c1-19-15-14-16(21-10-20-14)24-18(23-15)22-12-4-3-11(9-13(12)27-2)17(26)25-5-7-28-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H3,19,20,21,22,23,24)
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n/an/a 35n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481871
PNG
(US10913744, Compound 10)
Show SMILES COc1cc(ccc1Nc1ncc2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H19N5O3/c1-25-15-10-12(17(24)23-6-8-26-9-7-23)2-3-14(15)21-18-20-11-13-4-5-19-16(13)22-18/h2-5,10-11H,6-9H2,1H3,(H2,19,20,21,22)
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n/an/a 40n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481882
PNG
(US10913744, Compound 21)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cnc12
Show InChI InChI=1S/C18H21N7O3/c1-19-15-14-16(21-10-20-14)24-18(23-15)22-12-4-3-11(9-13(12)27-2)17(26)25-5-7-28-8-6-25/h3-4,9-10H,5-8H2,1-2H3,(H3,19,20,21,22,23,24)
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n/an/a 44n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T)


(Homo sapiens (Human))
BDBM481879
PNG
(Synthesis of (4-((5-chloro-4-(methylamino)-7H-pyrr...)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)nc2[nH]cc(Cl)c12
Show InChI InChI=1S/C19H21ClN6O3/c1-21-16-15-12(20)10-22-17(15)25-19(24-16)23-13-4-3-11(9-14(13)28-2)18(27)26-5-7-29-8-6-26/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24,25)
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n/an/a 47.7n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S)


(Homo sapiens (Human))
BDBM482159
PNG
(BDBM50401284 | GSK2578215A)
Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)
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n/an/a 61.3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T)


(Homo sapiens (Human))
BDBM482159
PNG
(BDBM50401284 | GSK2578215A)
Show SMILES Fc1cc(ccn1)-c1ccc(OCc2ccccc2)c(c1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C24H18FN3O2/c25-23-14-19(10-12-27-23)18-8-9-22(30-16-17-5-2-1-3-6-17)21(13-18)24(29)28-20-7-4-11-26-15-20/h1-15H,16H2,(H,28,29)
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n/an/a 81.1n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T)


(Homo sapiens (Human))
BDBM482158
PNG
(BDBM50242742 | TAE684)
Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)
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n/an/a 93.3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481870
PNG
(Synthesis of (3-methoxy-4-((4-methoxy-7H-pyrrolo[2...)
Show SMILES COc1cc(ccc1Nc1nc(OC)c2cc[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-11-12(18(25)24-7-9-28-10-8-24)3-4-14(15)21-19-22-16-13(5-6-20-16)17(23-19)27-2/h3-6,11H,7-10H2,1-2H3,(H2,20,21,22,23)
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n/an/a 95.7n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S)


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 95.9n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,G2019S)


(Homo sapiens (Human))
BDBM481878
PNG
(US10913744, Compound 17)
Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)c[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H18ClN5O3/c1-26-15-8-11(17(25)24-4-6-27-7-5-24)2-3-14(15)22-18-21-9-12-13(19)10-20-16(12)23-18/h2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
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n/an/a 108n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T)


(Homo sapiens (Human))
BDBM482160
PNG
(BDBM50396041 | HG-10-102-01)
Show SMILES CNc1nc(Nc2ccc(cc2OC)C(=O)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C17H20ClN5O3/c1-19-15-12(18)10-20-17(22-15)21-13-4-3-11(9-14(13)25-2)16(24)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,19,20,21,22)
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n/an/a 154n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527)


(Homo sapiens (Human))
BDBM481878
PNG
(US10913744, Compound 17)
Show SMILES COc1cc(ccc1Nc1ncc2c(Cl)c[nH]c2n1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H18ClN5O3/c1-26-15-8-11(17(25)24-4-6-27-7-5-24)2-3-14(15)22-18-21-9-12-13(19)10-20-16(12)23-18/h2-3,8-10H,4-7H2,1H3,(H2,20,21,22,23)
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US Patent
n/an/a 159n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T)


(Homo sapiens (Human))
BDBM482157
PNG
(BDBM50379529 | LRRK2-IN-1)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 2.45E+3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
GST-LRRK2 (aa 1326-2527,A2016T,G2019S)


(Homo sapiens (Human))
BDBM482157
PNG
(BDBM50379529 | LRRK2-IN-1)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C31H38N8O3/c1-35-15-17-38(18-16-35)22-11-13-39(14-12-22)29(40)21-9-10-24(27(19-21)42-4)33-31-32-20-26-28(34-31)36(2)25-8-6-5-7-23(25)30(41)37(26)3/h5-10,19-20,22H,11-18H2,1-4H3,(H,32,33,34)
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n/an/a 3.08E+3n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
Active GST-LRRK2 (1326-2527), GST-LRRK2[G2019S] (1326-2527), GST-LRRK2[A2016T] (1326-2527) and GST-LRRK2[A2016T+G2019S] (1326-2527) enzyme was purifi...


US Patent US10913744 (2021)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%