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Compile Data Set for Download or QSAR

Found 104 hits with Last Name = 'charles' and Initial = 'md'   
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
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124354
PNG
(CHEMBL3623439)
Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
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n/an/a 0.300n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50124354
PNG
(CHEMBL3623439)
Show SMILES Oc1ccc(Nc2ncc(s2)-c2ccncc2-c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H14ClN3OS/c21-18-4-2-1-3-15(18)17-11-22-10-9-16(17)19-12-23-20(26-19)24-13-5-7-14(25)8-6-13/h1-12,25H,(H,23,24)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LIMK2


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124355
PNG
(CHEMBL3623442)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24)
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n/an/a 1n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50124355
PNG
(CHEMBL3623442)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccc(C)cc1Cl
Show InChI InChI=1S/C19H18ClN3OS/c1-11(2)18(24)23-19-22-10-17(25-19)14-6-7-21-9-15(14)13-5-4-12(3)8-16(13)20/h4-11H,1-3H3,(H,22,23,24)
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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LIMK2


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124352
PNG
(CHEMBL3623441)
Show SMILES CC(C)C(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3OS/c1-11(2)17(23)22-18-21-10-16(24-18)13-7-8-20-9-14(13)12-5-3-4-6-15(12)19/h3-11H,1-2H3,(H,21,22,23)
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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124400
PNG
(CHEMBL3623438)
Show SMILES Clc1ccccc1-c1cnccc1-c1cnc(Nc2ccccc2)s1
Show InChI InChI=1S/C20H14ClN3S/c21-18-9-5-4-8-15(18)17-12-22-11-10-16(17)19-13-23-20(25-19)24-14-6-2-1-3-7-14/h1-13H,(H,23,24)
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n/an/a 3n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124399
PNG
(CHEMBL3623437)
Show SMILES C[C@@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/s2
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n/an/a 4n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124397
PNG
(CHEMBL3623435)
Show SMILES CC(C)CNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3S/c1-12(2)9-21-18-22-11-17(23-18)14-7-8-20-10-15(14)13-5-3-4-6-16(13)19/h3-8,10-12H,9H2,1-2H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124353
PNG
(CHEMBL3623443)
Show SMILES COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27)
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n/an/a 8n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124363
PNG
(CHEMBL3622874)
Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccc(OC)cc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N3OS/c1-3-7-24-18-25-11-17(27-18)14-6-8-23-10-15(14)13-5-4-12(26-2)9-16(13)19(20,21)22/h4-6,8-11H,3,7H2,1-2H3,(H,24,25)
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n/an/a 13n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278409
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1 |r|
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n/an/a 14.8n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124356
PNG
(CHEMBL3622867)
Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C17H16ClN3S/c1-2-8-20-17-21-11-16(22-17)13-7-9-19-10-14(13)12-5-3-4-6-15(12)18/h3-7,9-11H,2,8H2,1H3,(H,20,21)
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n/an/a 15n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
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n/an/a 15.3n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
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n/an/a 16.2n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278413
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrroli...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
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n/an/a 18.6n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124351
PNG
(CHEMBL3623440)
Show SMILES CC(=O)Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl
Show InChI InChI=1S/C16H12ClN3OS/c1-10(21)20-16-19-9-15(22-16)12-6-7-18-8-13(12)11-4-2-3-5-14(11)17/h2-9H,1H3,(H,19,20,21)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278450
PNG
(US10040788, Example 30(b))
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC)c1 |r|
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n/an/a 21n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278400
PNG
((2S)-2-Methoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
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n/an/a 21.3n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278405
PNG
((2S)-2-Methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC)c1 |r|
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n/an/a 21.5n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278418
PNG
((2S)-2-(4-Fluorophenyl)-2-methoxy-N-[5-[[(3R)-1-py...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1 |r|
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n/an/a 22n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278422
PNG
((2S)-2-(4-Fluoro-3-methoxy-phenyl)-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)c(OC)c1 |r|
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n/an/a 25.5n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278420
PNG
((2S)-2-Ethoxy-2-(4-fluorophenyl)-N-[5-[[(3R)-1-pyr...)
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)cc1 |r|
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n/an/a 27n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278410
PNG
((2R)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)F)c1 |r|
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n/an/a 27.1n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278415
PNG
((2S)-2-Ethoxy-2-phenyl-N-[5-[[(3R)-1-pyridazin-3-y...)
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccccc1 |r|
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n/an/a 27.6n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278436
PNG
(US10040788, Example 23(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)F)c1 |r|
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n/an/a 27.6n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172181
PNG
(CHEMBL3810394 | US10040788, Example 3)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1ccccc1 |r|
Show InChI InChI=1/C18H20N8O2S/c1-28-15(12-5-3-2-4-6-12)16(27)22-18-25-24-17(29-18)21-13-7-8-26(10-13)14-9-19-11-20-23-14/h2-6,9,11,13,15H,7-8,10H2,1H3,(H,21,24)(H,22,25,27)/t13-,15+/s2
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n/an/a 29n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278411
PNG
((2S)-2-Methoxy-N-[5-[[(3R)-1-(1,2,4-triazin-3-yl)p...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
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n/an/a 30.6n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172239
PNG
(CHEMBL3809014 | US10040788, Example 11)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1 |r|
Show InChI InChI=1/C20H23N7O3S/c1-29-15-7-5-13(6-8-15)17(30-2)18(28)23-20-26-25-19(31-20)22-14-9-11-27(12-14)16-4-3-10-21-24-16/h3-8,10,14,17H,9,11-12H2,1-2H3,(H,22,25)(H,23,26,28)/t14-,17+/s2
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n/an/a 31n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278414
PNG
((2R)-2-Methoxy-N-[5-[[(3R)-1-pyridazin-3-ylpyrroli...)
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
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n/an/a 32.9n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278445
PNG
(US10040788, Example 28(a))
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1 |r|
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n/an/a 34.1n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278439
PNG
(US10040788, Example 25(a))
Show SMILES CO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)c(OC)c1 |r|
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n/an/a 35.4n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278403
PNG
((2S)-2-Methoxy-2-(3-methoxyphenyl)-N-[5-[[(3R)-1-(...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC)c1 |r|
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n/an/a 35.5n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124362
PNG
(CHEMBL3622873)
Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C(F)(F)F
Show InChI InChI=1S/C18H16F3N3S/c1-2-8-23-17-24-11-16(25-17)13-7-9-22-10-14(13)12-5-3-4-6-15(12)18(19,20)21/h3-7,9-11H,2,8H2,1H3,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124398
PNG
(CHEMBL3623436)
Show SMILES C[C@H](Nc1ncc(s1)-c1ccncc1-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1/C22H18ClN3S/c1-15(16-7-3-2-4-8-16)26-22-25-14-21(27-22)18-11-12-24-13-19(18)17-9-5-6-10-20(17)23/h2-15H,1H3,(H,25,26)/t15-/s2
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n/an/a 40n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278435
PNG
(US10040788, Example 22(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
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n/an/a 43.4n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278433
PNG
(US10040788, Example 21(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC)c1 |r|
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n/an/a 46.9n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
LIM domain kinase 2


(Homo sapiens (Human))
BDBM50124353
PNG
(CHEMBL3623443)
Show SMILES COc1ccc(-c2cnccc2-c2cnc(NC(=O)C(C)C)s2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O2S/c1-11(2)18(27)26-19-25-10-17(29-19)14-6-7-24-9-15(14)13-5-4-12(28-3)8-16(13)20(21,22)23/h4-11H,1-3H3,(H,25,26,27)
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n/an/a 48n/an/an/an/an/an/a



Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LIMK2


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278455
PNG
(US10040788, Example 33(a))
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccc(F)c(OC)c1 |r|
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n/an/a 50.2n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278451
PNG
(US10040788, Example 31(a))
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)c(OC)c1 |r|
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n/an/a 50.2n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278443
PNG
(US10040788, Example 27(a))
Show SMILES CCO[C@@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC)c1 |r|
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n/an/a 50.8n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM50172138
PNG
(CHEMBL3808443 | US10040788, Example 1(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccccc1 |r|
Show InChI InChI=1/C18H20N8O2S/c1-28-14(12-5-3-2-4-6-12)15(27)22-18-25-24-17(29-18)21-13-7-10-26(11-13)16-19-8-9-20-23-16/h2-6,8-9,13-14H,7,10-11H2,1H3,(H,21,24)(H,22,25,27)/t13-,14+/s2
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n/an/a 62.8n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278454
PNG
(US10040788, Example 32(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2nccnn2)s1)c1ccc(F)c(OC)c1 |r|
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n/an/a 70.7n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278434
PNG
(US10040788, Example 22(a))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2cncnn2)s1)c1cccc(OC(F)(F)F)c1 |r|
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n/an/a 72.9n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278438
PNG
((2S)-2-methoxy-2-(4- methoxyphenyl)-N-[5-[[(3R)- 1...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1ccc(OC)cc1 |r|
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n/an/a 74.7n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
LIM domain kinase 1


(Homo sapiens (Human))
BDBM50124360
PNG
(CHEMBL3622871)
Show SMILES CCCNc1ncc(s1)-c1ccncc1-c1ccccc1C
Show InChI InChI=1S/C18H19N3S/c1-3-9-20-18-21-12-17(22-18)15-8-10-19-11-16(15)14-7-5-4-6-13(14)2/h4-8,10-12H,3,9H2,1-2H3,(H,20,21)
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Cancer Research Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expressed in Sf21 cells by HTRF assay using cofilin as a substrate


J Med Chem 58: 8309-13 (2015)


BindingDB Entry DOI: 10.7270/Q27P917N
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278446
PNG
(US10040788, Example 28(b))
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cccnn2)s1)c1ccc(OC)cc1 |r|
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n/an/a 84.8n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278407
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)F)c1 |r|
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n/an/a 85.1n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278407
PNG
((2S)-2-[3-(Difluoromethoxy)phenyl]-2-methoxy-N-[5-...)
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@@H]2CCN(C2)c2nccnn2)s1)c1cccc(OC(F)F)c1 |r|
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n/an/a 85.1n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278452
PNG
(US10040788, Example 31(b))
Show SMILES CCO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2cccnn2)s1)c1ccc(F)c(OC)c1 |r|
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n/an/a 86.2n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
Glutaminase kidney isoform, mitochondrial


(Homo sapiens (Human))
BDBM278442
PNG
(US10040788, Example 26(b))
Show SMILES CO[C@H](C(=O)Nc1nnc(N[C@H]2CCN(C2)c2nccnn2)s1)c1ccc(OC)c(OC)c1 |r|
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n/an/a 87.7n/an/an/an/a7.8n/a



AstraZeneca AB; Cancer Research Technology Limited

US Patent




US Patent US10040788 (2018)


BindingDB Entry DOI: 10.7270/Q2Z321PG
More data for this
Ligand-Target Pair
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