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Compile Data Set for Download or QSAR

Found 2842 hits with Last Name = 'chang' and Initial = 'j'   
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
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
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0.00600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 |r|
Show InChI InChI=1/C22H24N8O/c1-14-9-24-12-18(27-14)17-8-19-15(10-25-17)11-26-30(19)21-6-5-20(31-2)22(28-21)29-7-3-4-16(23)13-29/h5-6,8-12,16H,3-4,7,13,23H2,1-2H3/t16-/s2
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0.00800n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131377
PNG
(CHEMBL3634781 | US9260425, 162)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7/c1-4-16(24-19(5-1)27-9-7-21-8-10-27)20-15-11-17(14-3-2-6-22-12-14)23-13-18(15)25-26-20/h1-6,11-13,21H,7-10H2,(H,25,26)
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0.0100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131224
PNG
(CHEMBL3634783 | US9260425, 505)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H20N8/c1-13-10-22-11-18(24-13)16-9-14-17(12-23-16)26-27-20(14)15-3-2-4-19(25-15)28-7-5-21-6-8-28/h2-4,9-12,21H,5-8H2,1H3,(H,26,27)
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0.0100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131224
PNG
(CHEMBL3634783 | US9260425, 505)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H20N8/c1-13-10-22-11-18(24-13)16-9-14-17(12-23-16)26-27-20(14)15-3-2-4-19(25-15)28-7-5-21-6-8-28/h2-4,9-12,21H,5-8H2,1H3,(H,26,27)
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0.0100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131227
PNG
(CHEMBL3634771 | US9260425, 473)
Show SMILES N#CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H19N9/c21-4-7-29-13-14(11-24-29)17-10-15-18(12-23-17)26-27-20(15)16-2-1-3-19(25-16)28-8-5-22-6-9-28/h1-3,10-13,22H,5-9H2,(H,26,27)
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0.0130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131261
PNG
(CHEMBL3634767)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H22N8/c1-27-13-14(11-23-27)17-10-15-18(12-22-17)25-26-20(15)16-4-2-5-19(24-16)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3,(H,25,26)
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0.0130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Transcriptional activation of Retinoid X receptor RXR alpha


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
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0.0130n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131265
PNG
(CHEMBL3634757 | US9260425, 189)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/s2
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131225
PNG
(CHEMBL3634769 | US9260425, 515)
Show SMILES CCn1cncc(-c2cc3c(n[nH]c3cn2)-c2cccc(n2)N2CCNCC2)c1=O
Show InChI InChI=1S/C21H22N8O/c1-2-28-13-23-11-15(21(28)30)17-10-14-18(12-24-17)26-27-20(14)16-4-3-5-19(25-16)29-8-6-22-7-9-29/h3-5,10-13,22H,2,6-9H2,1H3,(H,26,27)
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0.0150n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131228
PNG
(CHEMBL3634772 | US9260425, 497)
Show SMILES C(C1CC1)n1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H24N8/c1-2-18(26-21(3-1)29-8-6-23-7-9-29)22-17-10-19(24-12-20(17)27-28-22)16-11-25-30(14-16)13-15-4-5-15/h1-3,10-12,14-15,23H,4-9,13H2,(H,27,28)
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0.0160n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131226
PNG
(CHEMBL3634770 | US9260425, 234)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C19H20N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-19(14)15-3-2-4-18(23-15)27-7-5-20-6-8-27/h2-4,9-12,20H,5-8H2,1H3,(H,24,25)
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0.0170n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 |r|
Show InChI InChI=1/C22H24N8O/c1-14-9-24-12-18(27-14)17-8-19-15(10-25-17)11-26-30(19)21-6-5-20(31-2)22(28-21)29-7-3-4-16(23)13-29/h5-6,8-12,16H,3-4,7,13,23H2,1-2H3/t16-/s2
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0.0180n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM206757
PNG
(US9260425, 522)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28)
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM206420
PNG
(US9260425, 161)
Show SMILES N[C@H]1CCCN(C1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1 |r|
Show InChI InChI=1/C21H21N7/c22-15-5-3-9-28(13-15)20-7-1-6-17(25-20)21-16-10-18(14-4-2-8-23-11-14)24-12-19(16)26-27-21/h1-2,4,6-8,10-12,15H,3,5,9,13,22H2,(H,26,27)/t15-/s2
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266626
PNG
(CHEMBL4091687)
PDB
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM248907
PNG
(US9434725, 138)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM248907
PNG
(US9434725, 138)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-15-11-23-14-18(26-15)17-10-19-16(12-24-17)13-25-29(19)21-5-2-4-20(27-21)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266631
PNG
(CHEMBL4076913)
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131261
PNG
(CHEMBL3634767)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H22N8/c1-27-13-14(11-23-27)17-10-15-18(12-22-17)25-26-20(15)16-4-2-5-19(24-16)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3,(H,25,26)
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0.0200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131228
PNG
(CHEMBL3634772 | US9260425, 497)
Show SMILES C(C1CC1)n1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C22H24N8/c1-2-18(26-21(3-1)29-8-6-23-7-9-29)22-17-10-19(24-12-20(17)27-28-22)16-11-25-30(14-16)13-15-4-5-15/h1-3,10-12,14-15,23H,4-9,13H2,(H,27,28)
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0.0210n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131264
PNG
(CHEMBL3634756 | US9260425, 177)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0210n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131227
PNG
(CHEMBL3634771 | US9260425, 473)
Show SMILES N#CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H19N9/c21-4-7-29-13-14(11-24-29)17-10-15-18(12-23-17)26-27-20(15)16-2-1-3-19(25-16)28-8-5-22-6-9-28/h1-3,10-13,22H,5-9H2,(H,26,27)
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0.0220n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266626
PNG
(CHEMBL4091687)
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0.0300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131265
PNG
(CHEMBL3634757 | US9260425, 189)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1/C19H20N8/c1-26-10-12(8-22-26)16-7-14-17(9-21-16)24-25-19(14)15-3-2-4-18(23-15)27-6-5-13(20)11-27/h2-4,7-10,13H,5-6,11,20H2,1H3,(H,24,25)/t13-/s2
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0.0350n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131226
PNG
(CHEMBL3634770 | US9260425, 234)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C19H20N8/c1-26-12-13(10-22-26)16-9-14-17(11-21-16)24-25-19(14)15-3-2-4-18(23-15)27-7-5-20-6-8-27/h2-4,9-12,20H,5-8H2,1H3,(H,24,25)
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0.0360n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131378
PNG
(CHEMBL3634782 | US9260425, 384)
Show SMILES Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H21N7/c1-14-9-15(12-23-11-14)18-10-16-19(13-24-18)26-27-21(16)17-3-2-4-20(25-17)28-7-5-22-6-8-28/h2-4,9-13,22H,5-8H2,1H3,(H,26,27)
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0.0370n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM206757
PNG
(US9260425, 522)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28)
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0.0400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131377
PNG
(CHEMBL3634781 | US9260425, 162)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1
Show InChI InChI=1S/C20H19N7/c1-4-16(24-19(5-1)27-9-7-21-8-10-27)20-15-11-17(14-3-2-6-22-12-14)23-13-18(15)25-26-20/h1-6,11-13,21H,7-10H2,(H,25,26)
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0.0400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM206420
PNG
(US9260425, 161)
Show SMILES N[C@H]1CCCN(C1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1 |r|
Show InChI InChI=1/C21H21N7/c22-15-5-3-9-28(13-15)20-7-1-6-17(25-20)21-16-10-18(14-4-2-8-23-11-14)24-12-19(16)26-27-21/h1-2,4,6-8,10-12,15H,3,5,9,13,22H2,(H,26,27)/t15-/s2
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0.0400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131279
PNG
(CHEMBL3634761 | US9260425, 356)
Show SMILES CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H22N8/c1-2-28-13-14(11-23-28)17-10-15-18(12-22-17)25-26-20(15)16-4-3-5-19(24-16)27-8-6-21-7-9-27/h3-5,10-13,21H,2,6-9H2,1H3,(H,25,26)
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0.0410n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131378
PNG
(CHEMBL3634782 | US9260425, 384)
Show SMILES Cc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C21H21N7/c1-14-9-15(12-23-11-14)18-10-16-19(13-24-18)26-27-21(16)17-3-2-4-20(25-17)28-7-5-22-6-8-28/h2-4,9-13,22H,5-8H2,1H3,(H,26,27)
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0.0410n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50131224
PNG
(CHEMBL3634783 | US9260425, 505)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H20N8/c1-13-10-22-11-18(24-13)16-9-14-17(12-23-16)26-27-20(14)15-3-2-4-19(25-15)28-7-5-21-6-8-28/h2-4,9-12,21H,5-8H2,1H3,(H,26,27)
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0.0490n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM139926
PNG
(US8901087, 2)
Show SMILES CCCNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:4|
Show InChI InChI=1S/C11H20N2O4S/c1-3-4-12-11-13-6-7(15)8(16)9(5(2)14)17-10(6)18-11/h5-10,14-16H,3-4H2,1-2H3,(H,12,13)/t5-,6+,7+,8-,9+,10+/m0/s1
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US Patent
0.0500 -58.8n/an/an/an/an/a7.025



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...


US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1 |r|
Show InChI InChI=1/C20H22N8/c1-27-11-13(9-23-27)17-8-15-18(10-22-17)25-26-20(15)16-5-2-6-19(24-16)28-7-3-4-14(21)12-28/h2,5-6,8-11,14H,3-4,7,12,21H2,1H3,(H,25,26)/t14-/s2
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0.0600n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131225
PNG
(CHEMBL3634769 | US9260425, 515)
Show SMILES CCn1cncc(-c2cc3c(n[nH]c3cn2)-c2cccc(n2)N2CCNCC2)c1=O
Show InChI InChI=1S/C21H22N8O/c1-2-28-13-23-11-15(21(28)30)17-10-14-18(12-24-17)26-27-20(14)16-4-3-5-19(25-16)29-8-6-22-7-9-29/h3-5,10-13,22H,2,6-9H2,1H3,(H,26,27)
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0.0700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266631
PNG
(CHEMBL4076913)
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0.0700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131279
PNG
(CHEMBL3634761 | US9260425, 356)
Show SMILES CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCNCC1
Show InChI InChI=1S/C20H22N8/c1-2-28-13-14(11-23-28)17-10-15-18(12-22-17)25-26-20(15)16-4-3-5-19(24-16)27-8-6-21-7-9-27/h3-5,10-13,21H,2,6-9H2,1H3,(H,25,26)
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0.0730n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1 |r|
Show InChI InChI=1/C21H24N8/c1-13-5-6-17(25-21(13)29-7-3-4-15(22)12-29)20-16-8-18(14-9-24-28(2)11-14)23-10-19(16)26-27-20/h5-6,8-11,15H,3-4,7,12,22H2,1-2H3,(H,26,27)/t15-/s2
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0.0880n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM206614
PNG
(US9260425, 372)
Show SMILES CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C21H24N8/c1-3-29-14-15(12-23-29)18-11-16-19(13-22-18)25-26-21(16)17-5-4-6-20(24-17)28-9-7-27(2)8-10-28/h4-6,11-14H,3,7-10H2,1-2H3,(H,25,26)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131375
PNG
(CHEMBL3634779 | US9260425, 147)
Show SMILES NC1CCN(CC1)c1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1ccccc1F
Show InChI InChI=1S/C21H20FN7/c22-16-4-2-1-3-14(16)21-15-9-17(25-11-18(15)27-28-21)19-10-24-12-20(26-19)29-7-5-13(23)6-8-29/h1-4,9-13H,5-8,23H2,(H,27,28)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131375
PNG
(CHEMBL3634779 | US9260425, 147)
Show SMILES NC1CCN(CC1)c1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1ccccc1F
Show InChI InChI=1S/C21H20FN7/c22-16-4-2-1-3-14(16)21-15-9-17(25-11-18(15)27-28-21)19-10-24-12-20(26-19)29-7-5-13(23)6-8-29/h1-4,9-13H,5-8,23H2,(H,27,28)
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0.100n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM206757
PNG
(US9260425, 522)
Show SMILES Cc1cncc(n1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-14-11-23-12-19(25-14)17-10-15-18(13-24-17)27-28-21(15)16-4-2-5-20(26-16)29-8-3-6-22-7-9-29/h2,4-5,10-13,22H,3,6-9H2,1H3,(H,27,28)
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0.110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 |r|
Show InChI InChI=1/C22H24N8O/c1-14-9-24-12-18(27-14)17-8-19-15(10-25-17)11-26-30(19)21-6-5-20(31-2)22(28-21)29-7-3-4-16(23)13-29/h5-6,8-12,16H,3-4,7,13,23H2,1-2H3/t16-/s2
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0.110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL




J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131373
PNG
(CHEMBL3634777)
Show SMILES Fc1ccccc1-c1n[nH]c2cnc(cc12)-c1cnccc1O[C@@H]1CCCNC1 |r|
Show InChI InChI=1/C22H20FN5O/c23-18-6-2-1-5-15(18)22-16-10-19(26-13-20(16)27-28-22)17-12-25-9-7-21(17)29-14-4-3-8-24-11-14/h1-2,5-7,9-10,12-14,24H,3-4,8,11H2,(H,27,28)/t14-/s2
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0.110n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131262
PNG
(CHEMBL3634768 | US9260425, 247)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)C1CCNCC1
Show InChI InChI=1S/C20H21N7/c1-27-12-14(10-23-27)18-9-15-19(11-22-18)25-26-20(15)17-4-2-3-16(24-17)13-5-7-21-8-6-13/h2-4,9-13,21H,5-8H2,1H3,(H,25,26)
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0.120n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins


Bioorg Med Chem Lett 25: 5258-64 (2015)


BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
N-acetyl-beta-D-glucosaminidase (O-GlcNAcase)


(Homo sapiens (Human))
BDBM139933
PNG
(US8901087, 27)
Show SMILES CCNC1=N[C@H]2[C@H](O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)S1 |t:3|
Show InChI InChI=1S/C10H18N2O4S/c1-3-11-10-12-5-6(14)7(15)8(4(2)13)16-9(5)17-10/h4-9,13-15H,3H2,1-2H3,(H,11,12)/t4-,5+,6+,7-,8+,9+/m0/s1
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US Patent
0.120 -56.6n/an/an/an/an/a7.025



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acety...


US Patent US8901087 (2014)


BindingDB Entry DOI: 10.7270/Q24B301W
More data for this
Ligand-Target Pair
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