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Compile Data Set for Download or QSAR

Found 341 hits of ic50 data for polymerid = 4690,50004545   
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
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445080
PNG
((S)-2-(4-(5-(Trifluoromethyl)-1H-pyrazol-4-yl)indo...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
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n/an/a<100n/an/an/an/an/an/a



MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445088
PNG
((S)-2-(4-(1H-pyrrolo [2,3-b]pyridin-3- yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-10-3-7-19(25)21(27)26-11-8-15-14(4-1-6-18(15)26)17-12-24-20-16(17)5-2-9-23-20/h1-2,4-6,9,12,19H,3,7-8,10-11H2,(H,23,24)/t19-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445090
PNG
((2S,4S)-4-fluoro-2-(4-(5-(trifluoromethyl)-1H-pyra...)
Show SMILES F[C@H]1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1cn[nH]c1C(F)(F)F
Show InChI InChI=1S/C18H15F4N5O/c19-10-6-15(26(8-10)9-23)17(28)27-5-4-12-11(2-1-3-14(12)27)13-7-24-25-16(13)18(20,21)22/h1-3,7,10,15H,4-6,8H2,(H,24,25)/t10-,15-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445149
PNG
((2S,4S)-4-Fluoro-2-(4-(5-methyl-1H-pyrazol-4-yl)in...)
Show SMILES Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1C[C@H](F)CN1C#N |r|
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445158
PNG
((S)-2-(5-(3-(trifluoro- methyl)-1H-pyrazol-4- yl)i...)
Show SMILES FC(F)(F)c1n[nH]cc1-c1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C18H16F3N5O/c19-18(20,21)16-14(7-23-24-16)11-3-4-12-8-26(9-13(12)6-11)17(27)15-2-1-5-25(15)10-22/h3-4,6-7,15H,1-2,5,8-9H2,(H,23,24)/t15-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445160
PNG
((S)-2-(4-(1H-pyrrolo[2,3-b]- pyridin-4-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-11-2-5-19(25)21(27)26-12-8-16-14(3-1-4-18(16)26)15-6-9-23-20-17(15)7-10-24-20/h1,3-4,6-7,9-10,19H,2,5,8,11-12H2,(H,23,24)/t19-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445080
PNG
((S)-2-(4-(5-(Trifluoromethyl)-1H-pyrazol-4-yl)indo...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445088
PNG
((S)-2-(4-(1H-pyrrolo [2,3-b]pyridin-3- yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]c2ncccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-10-3-7-19(25)21(27)26-11-8-15-14(4-1-6-18(15)26)17-12-24-20-16(17)5-2-9-23-20/h1-2,4-6,9,12,19H,3,7-8,10-11H2,(H,23,24)/t19-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM552974
PNG
((2S,4S)-4-fluoro-2-(4-(5- | US11319287, Example 29)
Show SMILES FC1C[C@H](N(C1)C#N)C(=O)N1CCc2c1cccc2-c1c[nH]nc1C(F)(F)F
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445149
PNG
((2S,4S)-4-Fluoro-2-(4-(5-methyl-1H-pyrazol-4-yl)in...)
Show SMILES Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1C[C@H](F)CN1C#N |r|
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445158
PNG
((S)-2-(5-(3-(trifluoro- methyl)-1H-pyrazol-4- yl)i...)
Show SMILES FC(F)(F)c1n[nH]cc1-c1ccc2CN(Cc2c1)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C18H16F3N5O/c19-18(20,21)16-14(7-23-24-16)11-3-4-12-8-26(9-13(12)6-11)17(27)15-2-1-5-25(15)10-22/h3-4,6-7,15H,1-2,5,8-9H2,(H,23,24)/t15-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445160
PNG
((S)-2-(4-(1H-pyrrolo[2,3-b]- pyridin-4-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccnc2[nH]ccc12
Show InChI InChI=1S/C21H19N5O/c22-13-25-11-2-5-19(25)21(27)26-12-8-16-14(3-1-4-18(16)26)15-6-9-23-20-17(15)7-10-24-20/h1,3-4,6-7,9-10,19H,2,5,8,11-12H2,(H,23,24)/t19-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50589875
PNG
(8RK64)
Show SMILES [N-]=[N+]=NCC(=O)N1CCc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2C1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01113
BindingDB Entry DOI: 10.7270/Q21C21TN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50594734
PNG
(CHEMBL5191704)
Show SMILES O=C(Nc1ncc(s1)N1CCOCC1)C1CCN(C1)C#N
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113970
BindingDB Entry DOI: 10.7270/Q2BV7MNZ
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50589875
PNG
(8RK64)
Show SMILES [N-]=[N+]=NCC(=O)N1CCc2nc(NC(=O)[C@H]3CCN(C3)C#N)sc2C1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01113
BindingDB Entry DOI: 10.7270/Q21C21TN
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445081
PNG
((S)-2-(4-(1H-Pyrazol-4-yl)indoline-1-carbonyl)pyrr...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cn[nH]c1 |r|
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM50590283
PNG
(CHEMBL5169766 | US20230303547, Reference Example D)
Show SMILES O=C(Nc1ncc(s1)-c1ccccc1)[C@H]1CCN(C1)C#N |r|
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TBA



Citation and Details

Article DOI: 10.1039/d1md00218j
BindingDB Entry DOI: 10.7270/Q27S7SQ9
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445086
PNG
((S)-2-(4-(3,5-dimethyl- 1H-pyrazol-4-yl)indoline- ...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |wU:18.20,(4.04,-2.74,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-.91,4.63,;.62,4.46,;1.25,5.87,;.1,6.9,;-1.23,6.13,;-2.64,6.76,;-4.04,7.38,)|
Show InChI InChI=1S/C19H21N5O/c1-12-18(13(2)22-21-12)15-5-3-6-16-14(15)8-10-24(16)19(25)17-7-4-9-23(17)11-20/h3,5-6,17H,4,7-10H2,1-2H3,(H,21,22)/t17-/m0/s1
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US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445089
PNG
((S)-4,4-difluoro-2-(4-(5-(trifluoromethyl)-1H-pyra...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
Show InChI InChI=1S/C18H14F5N5O/c19-17(20)6-14(27(8-17)9-24)16(29)28-5-4-11-10(2-1-3-13(11)28)12-7-25-26-15(12)18(21,22)23/h1-3,7,14H,4-6,8H2,(H,25,26)/t14-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445091
PNG
((S)-4,4-difluoro-2-(4-(5-methyl-1H-pyrazol-4-yl)in...)
Show SMILES Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
Show InChI InChI=1S/C18H17F2N5O/c1-11-14(8-22-23-11)12-3-2-4-15-13(12)5-6-25(15)17(26)16-7-18(19,20)9-24(16)10-21/h2-4,8,16H,5-7,9H2,1H3,(H,22,23)/t16-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445098
PNG
((S)-2-(4-(3-cyclopropyl-1H- pyrazol-4-yl)indoline-...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]nc1C1CC1
Show InChI InChI=1S/C20H21N5O/c21-12-24-9-2-5-18(24)20(26)25-10-8-15-14(3-1-4-17(15)25)16-11-22-23-19(16)13-6-7-13/h1,3-4,11,13,18H,2,5-10H2,(H,22,23)/t18-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445099
PNG
((S)-2-(4-(2-aminopyrimidin- 4-yl)indoline-1- carbo...)
Show SMILES Nc1nccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C18H18N6O/c19-11-23-9-2-5-16(23)17(25)24-10-7-13-12(3-1-4-15(13)24)14-6-8-21-18(20)22-14/h1,3-4,6,8,16H,2,5,7,9-10H2,(H2,20,21,22)/t16-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445100
PNG
((S)-2-(4-(Pyridin-4-yl)indoline-1-carbonyl)pyrroli...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncc1 |r|
Show InChI InChI=1S/C19H18N4O/c20-13-22-11-2-5-18(22)19(24)23-12-8-16-15(3-1-4-17(16)23)14-6-9-21-10-7-14/h1,3-4,6-7,9-10,18H,2,5,8,11-12H2/t18-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445107
PNG
((S)-1-Cyano-N-(4-(2-methoxyphenyl)thiazol-2-yl)-N-...)
Show SMILES COc1ccccc1-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N |r|
Show InChI InChI=1S/C17H18N4O2S/c1-20(16(22)14-7-5-9-21(14)11-18)17-19-13(10-24-17)12-6-3-4-8-15(12)23-2/h3-4,6,8,10,14H,5,7,9H2,1-2H3/t14-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445108
PNG
((S)-1-cyano-N-(4-(3- methoxyphenyl)thiazol-2- yl)-...)
Show SMILES COc1cccc(c1)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C17H18N4O2S/c1-20(16(22)15-7-4-8-21(15)11-18)17-19-14(10-24-17)12-5-3-6-13(9-12)23-2/h3,5-6,9-10,15H,4,7-8H2,1-2H3/t15-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445113
PNG
((S)-N-(4-(3-chlorophenyl)- thiazol-2-yl)-1-cyano-N...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H15ClN4OS/c1-20(15(22)14-6-3-7-21(14)10-18)16-19-13(9-23-16)11-4-2-5-12(17)8-11/h2,4-5,8-9,14H,3,6-7H2,1H3/t14-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445114
PNG
((S)-N-(4-(2-chlorophenyl)- thiazol-2-yl)-1-cyano-N...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccc1Cl
Show InChI InChI=1S/C16H15ClN4OS/c1-20(15(22)14-7-4-8-21(14)10-18)16-19-13(9-23-16)11-5-2-3-6-12(11)17/h2-3,5-6,9,14H,4,7-8H2,1H3/t14-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445115
PNG
((S)-1-cyano-N-methyl-N-(4-phenylthiazol-2-yl)pyrro...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H16N4OS/c1-19(15(21)14-8-5-9-20(14)11-17)16-18-13(10-22-16)12-6-3-2-4-7-12/h2-4,6-7,10,14H,5,8-9H2,1H3/t14-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445132
PNG
((2S,4S)-1-Cyano-4-methoxy-N-methyl-N-(4-phenylthia...)
Show SMILES CO[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N(C)c1nc(cs1)-c1ccccc1 |r|
Show InChI InChI=1S/C21H27N3O4S/c1-21(2,3)28-20(26)24-12-15(27-5)11-17(24)18(25)23(4)19-22-16(13-29-19)14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3/t15-,17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445135
PNG
(4-(1-(Cyano-L-prolyl)indolin-4-yl)-1H-pyrazole-5-c...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2-c1cn[nH]c1C#N |r|
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445137
PNG
((S)-2-(4-(2-Aminopyridin-4-yl)indoline-1-carbonyl)...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCc2c1cccc2-c1ccnc(N)c1 |r|
Show InChI InChI=1S/C23H28N4O3/c1-23(2,3)30-22(29)27-12-5-8-19(27)21(28)26-13-10-17-16(6-4-7-18(17)26)15-9-11-25-20(24)14-15/h4,6-7,9,11,14,19H,5,8,10,12-13H2,1-3H3,(H2,24,25)/t19-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445140
PNG
((S)-1-cyano-N-(4- (6-methoxypyridin- 2-yl)thiazol-...)
Show SMILES COc1cccc(n1)-c1csc(n1)N(C)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C16H17N5O2S/c1-20(15(22)13-6-4-8-21(13)10-17)16-19-12(9-24-16)11-5-3-7-14(18-11)23-2/h3,5,7,9,13H,4,6,8H2,1-2H3/t13-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445145
PNG
(1-(Cyano-L-prolyl)-N-methyl-4-(1H-pyrrolo[2,3-b]py...)
Show SMILES CNC(=O)c1cc2N(CCc2c(c1)-c1c[nH]c2ncccc12)C(=O)[C@@H]1CCCN1C#N |r|
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445150
PNG
(N-(4-(1-(Cyano-L-prolyl)indolin-4-yl)pyridin-2-yl)...)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C25H30N4O4/c1-16(30)27-22-15-17(10-12-26-22)18-7-5-8-20-19(18)11-14-28(20)23(31)21-9-6-13-29(21)24(32)33-25(2,3)4/h5,7-8,10,12,15,21H,6,9,11,13-14H2,1-4H3,(H,26,27,30)/t21-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445151
PNG
((S)-2-(4-(5-(Trifluoromethyl)-1H-pyrazol-4-yl)-2,3...)
Show SMILES FC(F)(F)c1[nH]ncc1-c1nccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445155
PNG
((S)-N-(4-(3-Chlorophenyl)thiazol-2-yl)-1-cyano-N-e...)
Show SMILES CCN(C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1nc(cs1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C21H26ClN3O3S/c1-5-24(19-23-16(13-29-19)14-8-6-9-15(22)12-14)18(26)17-10-7-11-25(17)20(27)28-21(2,3)4/h6,8-9,12-13,17H,5,7,10-11H2,1-4H3/t17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445159
PNG
(4-(1-(cyano-L-prolyl)indolin- 4-yl)nicotinonitrile...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncc1C#N
Show InChI InChI=1S/C20H17N5O/c21-11-14-12-23-8-6-15(14)16-3-1-4-18-17(16)7-10-25(18)20(26)19-5-2-9-24(19)13-22/h1,3-4,6,8,12,19H,2,5,7,9-10H2/t19-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445163
PNG
((S)-2-(4-(2- (methylamino)pyrimidin- 4-yl)indoline...)
Show SMILES CNc1nccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C19H20N6O/c1-21-19-22-9-7-15(23-19)13-4-2-5-16-14(13)8-11-25(16)18(26)17-6-3-10-24(17)12-20/h2,4-5,7,9,17H,3,6,8,10-11H2,1H3,(H,21,22,23)/t17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445165
PNG
((S)-2-(4-(1H-pyrazolo[3,4- b]pyridin-3-yl)indoline...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1n[nH]c2ncccc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-10-3-7-17(25)20(27)26-11-8-13-14(4-1-6-16(13)26)18-15-5-2-9-22-19(15)24-23-18/h1-2,4-6,9,17H,3,7-8,10-11H2,(H,22,23,24)/t17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445166
PNG
((S)-2-(4-(5H-pyrrolo[2,3- b]pyrazin-7-yl)indoline-...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]c2nccnc12
Show InChI InChI=1S/C20H18N6O/c21-12-25-9-2-5-17(25)20(27)26-10-6-14-13(3-1-4-16(14)26)15-11-24-19-18(15)22-7-8-23-19/h1,3-4,7-8,11,17H,2,5-6,9-10H2,(H,23,24)/t17-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445167
PNG
((S)-N-(4-(3-chloro-4- fluorophenyl)thiazol-2-yl)-1...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C16H14ClFN4OS/c1-21(15(23)14-3-2-6-22(14)9-19)16-20-13(8-24-16)10-4-5-12(18)11(17)7-10/h4-5,7-8,14H,2-3,6H2,1H3/t14-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445169
PNG
((S)-1-cyano-N-(4-(3- cyanophenyl)thiazol-2-yl)- N-...)
Show SMILES CN(C(=O)[C@@H]1CCCN1C#N)c1nc(cs1)-c1cccc(c1)C#N
Show InChI InChI=1S/C17H15N5OS/c1-21(16(23)15-6-3-7-22(15)11-19)17-20-14(10-24-17)13-5-2-4-12(8-13)9-18/h2,4-5,8,10,15H,3,6-7H2,1H3/t15-/m0/s1
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MISSION THERAPEUTICS LIMITED

US Patent


Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 (μM) in 50% DMSO in a 96-well p...


US Patent US10669234 (2020)


BindingDB Entry DOI: 10.7270/Q22N559S
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445081
PNG
((S)-2-(4-(1H-Pyrazol-4-yl)indoline-1-carbonyl)pyrr...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1cn[nH]c1 |r|
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445082
PNG
((S)-2-(4-(5-Methyl-1H-pyrazol-4-yl)indoline-1-carb...)
Show SMILES Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |r|
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445086
PNG
((S)-2-(4-(3,5-dimethyl- 1H-pyrazol-4-yl)indoline- ...)
Show SMILES Cc1n[nH]c(C)c1-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N |wU:18.20,(4.04,-2.74,;2.58,-3.22,;2.1,-4.68,;.56,-4.68,;.09,-3.22,;-1.38,-2.74,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;1.33,2.31,;,1.54,;-1.46,2.02,;-2.37,.77,;-1.46,-.48,;;-1.94,3.48,;-3.45,3.8,;-.91,4.63,;.62,4.46,;1.25,5.87,;.1,6.9,;-1.23,6.13,;-2.64,6.76,;-4.04,7.38,)|
Show InChI InChI=1S/C19H21N5O/c1-12-18(13(2)22-21-12)15-5-3-6-16-14(15)8-10-24(16)19(25)17-7-4-9-23(17)11-20/h3,5-6,17H,4,7-10H2,1-2H3,(H,21,22)/t17-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM552973
PNG
((S)-4,4-difluoro-2-(4-(5- | US11319287, Example 28)
Show SMILES FC(F)(F)c1n[nH]cc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445091
PNG
((S)-4,4-difluoro-2-(4-(5-methyl-1H-pyrazol-4-yl)in...)
Show SMILES Cc1[nH]ncc1-c1cccc2N(CCc12)C(=O)[C@@H]1CC(F)(F)CN1C#N
Show InChI InChI=1S/C18H17F2N5O/c1-11-14(8-22-23-11)12-3-2-4-15-13(12)5-6-25(15)17(26)16-7-18(19,20)9-24(16)10-21/h2-4,8,16H,5-7,9H2,1H3,(H,22,23)/t16-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445098
PNG
((S)-2-(4-(3-cyclopropyl-1H- pyrazol-4-yl)indoline-...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1c[nH]nc1C1CC1
Show InChI InChI=1S/C20H21N5O/c21-12-24-9-2-5-18(24)20(26)25-10-8-15-14(3-1-4-17(15)25)16-11-22-23-19(16)13-6-7-13/h1,3-4,11,13,18H,2,5-10H2,(H,22,23)/t18-/m0/s1
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Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445099
PNG
((S)-2-(4-(2-aminopyrimidin- 4-yl)indoline-1- carbo...)
Show SMILES Nc1nccc(n1)-c1cccc2N(CCc12)C(=O)[C@@H]1CCCN1C#N
Show InChI InChI=1S/C18H18N6O/c19-11-23-9-2-5-16(23)17(25)24-10-7-13-12(3-1-4-15(13)24)14-6-8-21-18(20)22-14/h1,3-4,6,8,16H,2,5,7,9-10H2,(H2,20,21,22)/t16-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1


(Homo sapiens (Human))
BDBM445100
PNG
((S)-2-(4-(Pyridin-4-yl)indoline-1-carbonyl)pyrroli...)
Show SMILES O=C([C@@H]1CCCN1C#N)N1CCc2c1cccc2-c1ccncc1 |r|
Show InChI InChI=1S/C19H18N4O/c20-13-22-11-2-5-18(22)19(24)23-12-8-16-15(3-1-4-17(16)23)14-6-9-21-10-7-14/h1,3-4,6-7,9-10,18H,2,5,8,11-12H2/t18-/m0/s1
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TBA

Assay Description
Dilution plates were prepared at 21 times the final concentration (2100 μM for a final concentration of 100 μM) in 50% DMSO in a 96-well po...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CN774X
More data for this
Ligand-Target Pair
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