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Patent code US10280165

Compile Data Set for Download or QSAR
Found 40 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
NR1/NR2A


(Homo sapiens (Human))
BDBM383928
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- 4-oxo-pyrido...)
Show SMILES CCN(Cc1cc(=O)n2c(cccc2n1)C#N)c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-2-22(15-8-6-13(19)7-9-15)12-14-10-18(24)23-16(11-20)4-3-5-17(23)21-14/h3-10H,2,12H2,1H3
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n/an/an/an/a 5.80E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383957
PNG
((1R,2R)-2-(2-((3,5-dichloro-1H- pyrazol-1-yl)methy...)
Show SMILES Cc1cc([C@@H]2C[C@H]2C#N)n2c(c1)nc(Cn1nc(Cl)cc1Cl)cc2=O
Show InChI InChI=1S/C17H13Cl2N5O/c1-9-2-13(12-4-10(12)7-20)24-16(3-9)21-11(5-17(24)25)8-23-15(19)6-14(18)22-23/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/m0/s1
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n/an/an/an/a 222n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50206009
PNG
(CHEMBL3983039 | US10280165, Example 35)
Show SMILES Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/s2
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n/an/an/an/a 77n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
NR1/NR2A


(Homo sapiens (Human))
BDBM383943
PNG
((1S,2S)-2-[7-chloro-2-[[5-chloro-3- (trifluorometh...)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@H]4C[C@@H]4C#N)c(Cl)ccc3n2)n1
Show InChI InChI=1S/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/m1/s1
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n/an/an/an/a 1.06E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383925
PNG
(6-ethoxy-2-[(N-ethyl-4-fluoro- anilino)methyl]pyri...)
Show SMILES CCOc1cccc2nc(CN(CC)c3ccc(F)cc3)cc(=O)n12
Show InChI InChI=1S/C19H20FN3O2/c1-3-22(16-10-8-14(20)9-11-16)13-15-12-18(24)23-17(21-15)6-5-7-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383931
PNG
(2-[[5-cyclopropyl-3- (trifluoromethyl)pyrazol-1- y...)
Show SMILES CCNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C20H20F3N5O2/c1-3-24-19(30)18-11(2)4-7-16-25-13(8-17(29)28(16)18)10-27-14(12-5-6-12)9-15(26-27)20(21,22)23/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,24,30)
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383951
PNG
(6-acetyl-2-[[5-chloro-3- (trifluoromethyl)pyrazol-...)
Show SMILES CC(=O)c1c(C)ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C16H12ClF3N4O2/c1-8-3-4-13-21-10(5-14(26)24(13)15(8)9(2)25)7-23-12(17)6-11(22-23)16(18,19)20/h3-6H,7H2,1-2H3
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n/an/an/an/a 7.70E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383952
PNG
(6-acetyl-2-[[3-chloro-5- (trifluoromethyl)pyrazol-...)
Show SMILES CC(=O)c1c(C)ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C16H12ClF3N4O2/c1-8-3-4-13-21-10(5-14(26)24(13)15(8)9(2)25)7-23-11(16(18,19)20)6-12(17)22-23/h3-6H,7H2,1-2H3
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n/an/an/an/a 9.10E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205849
PNG
(CHEMBL3938522 | US10280165, Example 1)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(Cl)ccc3n2)n1
Show InChI InChI=1/C17H10Cl2F3N5O/c18-11-1-2-14-24-9(7-26-13(19)5-12(25-26)17(20,21)22)4-15(28)27(14)16(11)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/s2
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n/an/an/an/a 36.8n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383919
PNG
(2-[(N-ethylanilino)methyl]-7-methyl- pyrido[1,2-a]...)
Show SMILES CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccccc1
Show InChI InChI=1S/C18H19N3O/c1-3-20(16-7-5-4-6-8-16)13-15-11-18(22)21-12-14(2)9-10-17(21)19-15/h4-12H,3,13H2,1-2H3
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n/an/an/an/a 1.11E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383924
PNG
(2-[(N-ethyl-fluoro-anilino)methyl]- 6-methoxy-pyri...)
Show SMILES CCN(Cc1cc(=O)n2c(OC)cccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O2/c1-3-21(15-9-7-13(19)8-10-15)12-14-11-17(23)22-16(20-14)5-4-6-18(22)24-2/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 4.40E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383926
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- 6-pyrimidin-...)
Show SMILES CCN(Cc1cc(=O)n2c(cccc2n1)-c1cncnc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN5O/c1-2-26(18-8-6-16(22)7-9-18)13-17-10-21(28)27-19(4-3-5-20(27)25-17)15-11-23-14-24-12-15/h3-12,14H,2,13H2,1H3
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n/an/an/an/a 6.40E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383930
PNG
(N-ethyl-2-[(4- fluorophenoxy)methyl]-7-methyl-4- o...)
Show SMILES CCNC(=O)c1c(C)ccc2nc(COc3ccc(F)cc3)cc(=O)n12
Show InChI InChI=1S/C19H18FN3O3/c1-3-21-19(25)18-12(2)4-9-16-22-14(10-17(24)23(16)18)11-26-15-7-5-13(20)6-8-15/h4-10H,3,11H2,1-2H3,(H,21,25)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383933
PNG
(2-[[5-cyclopropyl-3- (trifluoromethyl)pyrazol-1- y...)
Show SMILES CCNC(=O)c1cccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C19H18F3N5O2/c1-2-23-18(29)13-4-3-5-16-24-12(8-17(28)27(13)16)10-26-14(11-6-7-11)9-15(25-26)19(20,21)22/h3-5,8-9,11H,2,6-7,10H2,1H3,(H,23,29)
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n/an/an/an/a 7.40E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383936
PNG
((1S,2S)-2-[2-[[5-chloro-3- (trifluoromethyl)pyrazo...)
Show SMILES Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@H]1C[C@@H]1C#N
Show InChI InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/m1/s1
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n/an/an/an/a 2.55E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383947
PNG
((1S,2S)-2-[2-[[5-chloro-3- (trifluoromethyl)pyrazo...)
Show SMILES Fc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@H]1C[C@@H]1C#N
Show InChI InChI=1S/C17H10ClF4N5O/c18-13-5-12(17(20,21)22)25-26(13)7-9-4-15(28)27-14(24-9)2-1-11(19)16(27)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/m1/s1
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n/an/an/an/a 3.22E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383950
PNG
(6-acetyl-2-[[5-chloro-3- (trifluoromethyl)pyrazol-...)
Show SMILES CC(=O)c1cccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C15H10ClF3N4O2/c1-8(24)10-3-2-4-13-20-9(5-14(25)23(10)13)7-22-12(16)6-11(21-22)15(17,18)19/h2-6H,7H2,1H3
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n/an/an/an/a 1.23E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383954
PNG
(6-chloro-2-[[5-chloro-3- (trifluoromethyl)pyrazol-...)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(Cl)cc(cc3n2)C(F)(F)F)n1
Show InChI InChI=1S/C14H6Cl2F6N4O/c15-9-4-8(14(20,21)22)24-25(9)5-7-3-12(27)26-10(16)1-6(13(17,18)19)2-11(26)23-7/h1-4H,5H2
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n/an/an/an/a 2.47E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383921
PNG
(6-ethyl-2-[(N-ethyl-4-fluoro- anilino)methyl]pyrid...)
Show SMILES CCN(Cc1cc(=O)n2c(CC)cccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C19H20FN3O/c1-3-16-6-5-7-18-21-15(12-19(24)23(16)18)13-22(4-2)17-10-8-14(20)9-11-17/h5-12H,3-4,13H2,1-2H3
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n/an/an/an/a 6.40E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383927
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- 6-(2-furyl)p...)
Show SMILES CCN(Cc1cc(=O)n2c(cccc2n1)-c1ccco1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18FN3O2/c1-2-24(17-10-8-15(22)9-11-17)14-16-13-21(26)25-18(19-6-4-12-27-19)5-3-7-20(25)23-16/h3-13H,2,14H2,1H3
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n/an/an/an/a 371n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205852
PNG
(CHEMBL3976578 | US10280165, Example 38)
Show SMILES Cc1cc([C@@H]2C[C@H]2C#N)n2c(c1)nc(Cn1nc(cc1Cl)C(F)(F)F)cc2=O
Show InChI InChI=1/C18H13ClF3N5O/c1-9-2-13(12-4-10(12)7-23)27-16(3-9)24-11(5-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/s2
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n/an/an/an/a 39n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383945
PNG
(2-[2-[[3-chloro-5- (trifluoromethyl)pyrazol-1- yl]...)
Show SMILES Cc1ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n2c1C1CC1C#N
Show InChI InChI=1S/C18H13ClF3N5O/c1-9-2-3-15-24-11(8-26-13(18(20,21)22)6-14(19)25-26)5-16(28)27(15)17(9)12-4-10(12)7-23/h2-3,5-6,10,12H,4,8H2,1H3
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n/an/an/an/a 227n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205850
PNG
(CHEMBL3970291 | US10280165, Example 45)
Show SMILES Fc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1/C17H10ClF4N5O/c18-13-5-12(17(20,21)22)25-26(13)7-9-4-15(28)27-14(24-9)2-1-11(19)16(27)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2/t8-,10+/s2
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n/an/an/an/a 21n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383949
PNG
(2-[[5-chloro-3- (trifluoromethyl)pyrazol-1- yl]met...)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3ccccc3n2)n1
Show InChI InChI=1S/C13H8ClF3N4O/c14-10-6-9(13(15,16)17)19-21(10)7-8-5-12(22)20-4-2-1-3-11(20)18-8/h1-6H,7H2
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n/an/an/an/a 3.24E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383922
PNG
(6-ethyl-2-[(N- ethylanilino)methyl]pyrido[1,2- a]p...)
Show SMILES CCN(Cc1cc(=O)n2c(CC)cccc2n1)c1ccccc1
Show InChI InChI=1S/C19H21N3O/c1-3-16-11-8-12-18-20-15(13-19(23)22(16)18)14-21(4-2)17-9-6-5-7-10-17/h5-13H,3-4,14H2,1-2H3
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n/an/an/an/a 1.15E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383932
PNG
(2-[[3-cyclopropyl-5- (trifluoromethyl)pyrazol-1- y...)
Show SMILES CCNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C(F)(F)F)C3CC3)cc(=O)n12
Show InChI InChI=1S/C20H20F3N5O2/c1-3-24-19(30)18-11(2)4-7-16-25-13(8-17(29)28(16)18)10-27-15(20(21,22)23)9-14(26-27)12-5-6-12/h4,7-9,12H,3,5-6,10H2,1-2H3,(H,24,30)
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n/an/an/an/a 1.62E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383940
PNG
((1S,2S)-2-[2-[[5-chloro-3- (trifluoromethyl)pyrazo...)
Show SMILES Cc1cc([C@H]2C[C@@H]2C#N)n2c(c1)nc(Cn1nc(cc1Cl)C(F)(F)F)cc2=O
Show InChI InChI=1S/C18H13ClF3N5O/c1-9-2-13(12-4-10(12)7-23)27-16(3-9)24-11(5-17(27)28)8-26-15(19)6-14(25-26)18(20,21)22/h2-3,5-6,10,12H,4,8H2,1H3/t10-,12+/m1/s1
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n/an/an/an/a 951n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383942
PNG
((1S,2S)-2-[2-[[5-chloro-3- (trifluoromethyl)pyrazo...)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cccc3n2)[C@H]2C[C@@H]2C#N)n1
Show InChI InChI=1S/C17H11ClF3N5O/c18-14-6-13(17(19,20)21)24-25(14)8-10-5-16(27)26-12(11-4-9(11)7-22)2-1-3-15(26)23-10/h1-3,5-6,9,11H,4,8H2/t9-,11+/m1/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383944
PNG
(2-[2-[[3-chloro-5- (trifluoromethyl)pyrazol-1- yl]...)
Show SMILES Cc1cc(C2CC2C#N)n2c(c1)nc(Cn1nc(Cl)cc1C(F)(F)F)cc2=O
Show InChI InChI=1S/C18H13ClF3N5O/c1-9-2-13(12-4-10(12)7-23)27-16(3-9)24-11(5-17(27)28)8-26-14(18(20,21)22)6-15(19)25-26/h2-3,5-6,10,12H,4,8H2,1H3
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n/an/an/an/a 269n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383923
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- 6-methyl-pyr...)
Show SMILES CCN(Cc1cc(=O)n2c(C)cccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O/c1-3-21(16-9-7-14(19)8-10-16)12-15-11-18(23)22-13(2)5-4-6-17(22)20-15/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 1.36E+4n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383948
PNG
(2-[2-[[3-chloro-5- (trifluoromethyl)pyrazol-1- yl]...)
Show SMILES Fc1ccc2nc(Cn3nc(Cl)cc3C(F)(F)F)cc(=O)n2c1C1CC1C#N
Show InChI InChI=1S/C17H10ClF4N5O/c18-13-5-12(17(20,21)22)26(25-13)7-9-4-15(28)27-14(24-9)2-1-11(19)16(27)10-3-8(10)6-23/h1-2,4-5,8,10H,3,7H2
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n/an/an/an/a 178n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205848
PNG
(CHEMBL3948381 | US10280165, Example 56)
Show SMILES FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cc(cc3n2)C(F)(F)F)[C@@H]2C[C@H]2C#N)n1
Show InChI InChI=1/C18H10ClF6N5O/c19-14-5-13(18(23,24)25)28-29(14)7-10-4-16(31)30-12(11-1-8(11)6-26)2-9(17(20,21)22)3-15(30)27-10/h2-5,8,11H,1,7H2/t8-,11+/s2
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US Patent
n/an/an/an/a 123n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383920
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- 7-methyl-pyr...)
Show SMILES CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN3O/c1-3-21(16-7-5-14(19)6-8-16)12-15-10-18(23)22-11-13(2)4-9-17(22)20-15/h4-11H,3,12H2,1-2H3
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n/an/an/an/a 5.20E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383929
PNG
(6-bromo-2-[(N-ethyl-4-fluoro- anilino)methyl]pyrid...)
Show SMILES CCN(Cc1cc(=O)n2c(Br)cccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C17H15BrFN3O/c1-2-21(14-8-6-12(19)7-9-14)11-13-10-17(23)22-15(18)4-3-5-16(22)20-13/h3-10H,2,11H2,1H3
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n/an/an/an/a 6.20E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383934
PNG
(2-[(N-ethyl-4-fluoro-anilino)methyl]- N,7-dimethyl...)
Show SMILES CCN(Cc1cc(=O)n2c(C(=O)NC)c(C)ccc2n1)c1ccc(F)cc1
Show InChI InChI=1S/C20H21FN4O2/c1-4-24(16-8-6-14(21)7-9-16)12-15-11-18(26)25-17(23-15)10-5-13(2)19(25)20(27)22-3/h5-11H,4,12H2,1-3H3,(H,22,27)
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n/an/an/an/a 2.70E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383938
PNG
(2-[[5-chloro-3- (trifluoromethyl)pyrazol-1- yl]met...)
Show SMILES Cc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1CO
Show InChI InChI=1S/C18H16ClF3N4O2/c1-9-2-3-15-23-11(7-25-14(19)6-13(24-25)18(20,21)22)5-16(28)26(15)17(9)12-4-10(12)8-27/h2-3,5-6,10,12,27H,4,7-8H2,1H3/t10-,12+/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383941
PNG
((1R,2R)-2-[2-[[5-chloro-3- (trifluoromethyl)pyrazo...)
Show SMILES CC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c(cccc3n2)[C@@H]2C[C@H]2C#N)n1
Show InChI InChI=1S/C18H14ClF2N5O/c1-18(20,21)14-7-15(19)25(24-14)9-11-6-17(27)26-13(12-5-10(12)8-22)3-2-4-16(26)23-11/h2-4,6-7,10,12H,5,9H2,1H3/t10-,12+/m0/s1
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n/an/an/an/a 24n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM50205853
PNG
(CHEMBL3968067 | US10280165, Example 52)
Show SMILES COc1ccc2nc(Cn3nc(cc3Cl)C(F)(F)F)cc(=O)n2c1[C@@H]1C[C@H]1C#N
Show InChI InChI=1/C18H13ClF3N5O2/c1-29-12-2-3-15-24-10(8-26-14(19)6-13(25-26)18(20,21)22)5-16(28)27(15)17(12)11-4-9(11)7-23/h2-3,5-6,9,11H,4,8H2,1H3/t9-,11+/s2
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US Patent
n/an/an/an/a 79n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383955
PNG
(2-((3,5-dichloro-1H-pyrazol-1- yl)methyl)-7-methox...)
Show SMILES COc1ccc2nc(Cn3nc(C)cc3Cl)cc(=O)n2c1C1CC1C
Show InChI InChI=1S/C18H19ClN4O2/c1-10-6-13(10)18-14(25-3)4-5-16-20-12(8-17(24)23(16)18)9-22-15(19)7-11(2)21-22/h4-5,7-8,10,13H,6,9H2,1-3H3
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n/an/an/an/a 102n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

More data for this
Ligand-Target Pair
NR1/NR2A


(Homo sapiens (Human))
BDBM383935
PNG
(2-[[5-cyclopropyl-3- (trifluoromethyl)pyrazol-1- y...)
Show SMILES CNC(=O)c1c(C)ccc2nc(Cn3nc(cc3C3CC3)C(F)(F)F)cc(=O)n12
Show InChI InChI=1S/C19H18F3N5O2/c1-10-3-6-15-24-12(7-16(28)27(15)17(10)18(29)23-2)9-26-13(11-4-5-11)8-14(25-26)19(20,21)22/h3,6-8,11H,4-5,9H2,1-2H3,(H,23,29)
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n/an/an/an/a 5.90E+3n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
TBD


US Patent US10280165 (2019)

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