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Compile Data Set for Download or QSAR

Found 2220 hits with Last Name = 'graf' and Initial = 'm'   
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))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1 |r|
Show InChI InChI=1S/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-/m0/s1
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0.00800n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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=1S/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-/m0/s1
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0.0180n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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=1S/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-/m0/s1
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0.0200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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|
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0.0200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266626
PNG
(CHEMBL4091687)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2nn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H21N9/c1-14-11-22-12-16(24-14)15-10-18-17(27-26-15)13-23-29(18)20-5-2-4-19(25-20)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3
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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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266631
PNG
(CHEMBL4076913)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)[C@H]1CNCCC1(F)F |r|
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1
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0.0200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266626
PNG
(CHEMBL4091687)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2nn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H21N9/c1-14-11-22-12-16(24-14)15-10-18-17(27-26-15)13-23-29(18)20-5-2-4-19(25-20)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3
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0.0300n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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|
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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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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=1S/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-/m0/s1
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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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266631
PNG
(CHEMBL4076913)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)[C@H]1CNCCC1(F)F |r|
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1
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0.0700n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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


Assay Description
Inhibition of PIM2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
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=1S/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-/m0/s1
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0.110n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM206689
PNG
(US9260425, 450)
Show SMILES CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-2-27-13-14(11-22-27)17-10-15-18(12-21-17)24-25-20(15)16-4-3-5-19(23-16)26-6-8-28-9-7-26/h3-5,10-13H,2,6-9H2,1H3,(H,24,25)
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0.200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266642
PNG
(CHEMBL4097308)
Show SMILES Cc1cncc(n1)-c1ccc2cnn(-c3cccc(n3)N3CCCNCC3)c2c1
Show InChI InChI=1S/C22H23N7/c1-16-13-24-15-19(26-16)17-6-7-18-14-25-29(20(18)12-17)22-5-2-4-21(27-22)28-10-3-8-23-9-11-28/h2,4-7,12-15,23H,3,8-11H2,1H3
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0.200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(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=1S/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-/m0/s1
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0.200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378525
PNG
(CHEMBL571466)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC)ccc-21
Show InChI InChI=1S/C16H15N5O3/c1-3-24-16(22)14-13-7-21-15(17-8-19-21)11-6-10(23-2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378517
PNG
(CHEMBL567243)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21
Show InChI InChI=1S/C15H12ClN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378529
PNG
(CHEMBL566189)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-20-14(16-8-18-20)10-5-3-4-6-11(10)19(12)9-17-13/h3-6,8-9H,2,7H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378486
PNG
(CHEMBL566181)
Show SMILES CCOc1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C15H14N4O/c1-2-20-15-14-9-19-13(7-8-17-19)11-5-3-4-6-12(11)18(14)10-16-15/h3-8,10H,2,9H2,1H3
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0.200n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM206420
PNG
(US9260425, 161)
Show SMILES N[C@H]1CCCN(C1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-c1cccnc1 |r|
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0.200n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50266631
PNG
(CHEMBL4076913)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2cn1)-c1cccc(n1)[C@H]1CNCCC1(F)F |r|
Show InChI InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3/t15-/m1/s1
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0.230n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(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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0.300n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378518
PNG
(CHEMBL565560)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-21-14(17-7-19-21)10-5-9(16)3-4-11(10)20(12)8-18-13/h3-5,7-8H,2,6H2,1H3
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0.300n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266628
PNG
(CHEMBL4089586)
Show SMILES Cc1cncc(n1)-c1cnc2cnn(-c3cccc(n3)N3CCCNCC3)c2c1
Show InChI InChI=1S/C21H22N8/c1-15-11-23-13-17(26-15)16-10-19-18(24-12-16)14-25-29(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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0.400n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266629
PNG
(CHEMBL4061456)
Show SMILES Cc1cncc(n1)-c1cn2c(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-15-10-23-13-18(26-15)19-14-29-16(11-24-19)12-25-21(29)17-4-2-5-20(27-17)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
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0.400n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266642
PNG
(CHEMBL4097308)
Show SMILES Cc1cncc(n1)-c1ccc2cnn(-c3cccc(n3)N3CCCNCC3)c2c1
Show InChI InChI=1S/C22H23N7/c1-16-13-24-15-19(26-16)17-6-7-18-14-25-29(20(18)12-17)22-5-2-4-21(27-22)28-10-3-8-23-9-11-28/h2,4-7,12-15,23H,3,8-11H2,1H3
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0.400n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(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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0.440n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50266626
PNG
(CHEMBL4091687)
Show SMILES Cc1cncc(n1)-c1cc2n(ncc2nn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C20H21N9/c1-14-11-22-12-16(24-14)15-10-18-17(27-26-15)13-23-29(18)20-5-2-4-19(25-20)28-8-3-6-21-7-9-28/h2,4-5,10-13,21H,3,6-9H2,1H3
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0.480n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266629
PNG
(CHEMBL4061456)
Show SMILES Cc1cncc(n1)-c1cn2c(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H22N8/c1-15-10-23-13-18(26-15)19-14-29-16(11-24-19)12-25-21(29)17-4-2-5-20(27-17)28-8-3-6-22-7-9-28/h2,4-5,10-14,22H,3,6-9H2,1H3
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0.5n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266627
PNG
(CHEMBL4070117)
Show SMILES Cc1cncc(n1)-c1cc2n(ccc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H23N7/c1-16-13-24-15-19(26-16)18-12-20-17(14-25-18)6-10-29(20)22-5-2-4-21(27-22)28-9-3-7-23-8-11-28/h2,4-6,10,12-15,23H,3,7-9,11H2,1H3
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0.5n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378519
PNG
(CHEMBL566188)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(C)ccc-21
Show InChI InChI=1S/C16H15N5O2/c1-3-23-16(22)14-13-7-21-15(17-8-19-21)11-6-10(2)4-5-12(11)20(13)9-18-14/h4-6,8-9H,3,7H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378469
PNG
(CHEMBL576426)
Show SMILES CCc1ncn-2c1Cn1ncnc1-c1ccccc-21
Show InChI InChI=1S/C14H13N5/c1-2-11-13-7-19-14(15-8-17-19)10-5-3-4-6-12(10)18(13)9-16-11/h3-6,8-9H,2,7H2,1H3
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0.5n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378501
PNG
(CHEMBL567019)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(Br)ccc-21
Show InChI InChI=1S/C15H12BrN5O2/c1-2-23-15(22)13-12-6-20-8-18-19-14(20)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7-8H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM206689
PNG
(US9260425, 450)
Show SMILES CCn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCOCC1
Show InChI InChI=1S/C20H21N7O/c1-2-27-13-14(11-22-27)17-10-15-18(12-21-17)24-25-20(15)16-4-3-5-19(23-16)26-6-8-28-9-7-26/h3-5,10-13H,2,6-9H2,1H3,(H,24,25)
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0.600n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378527
PNG
(CHEMBL569010)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C#C
Show InChI InChI=1S/C17H13N5O2/c1-3-11-5-6-13-12(7-11)16-18-9-20-22(16)8-14-15(17(23)24-4-2)19-10-21(13)14/h1,5-7,9-10H,4,8H2,2H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378504
PNG
(CHEMBL565345)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1cc(O)ccc-21
Show InChI InChI=1S/C15H13N5O3/c1-2-23-15(22)13-12-6-19-8-17-18-14(19)10-5-9(21)3-4-11(10)20(12)7-16-13/h3-5,7-8,21H,2,6H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378520
PNG
(CHEMBL571465)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(ccc-21)C1CC1
Show InChI InChI=1S/C18H17N5O2/c1-2-25-18(24)16-15-8-23-17(19-9-21-23)13-7-12(11-3-4-11)5-6-14(13)22(15)10-20-16/h5-7,9-11H,2-4,8H2,1H3
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0.600n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266643
PNG
(CHEMBL4081716)
Show SMILES Cc1cncc(n1)-c1cc2c(nsc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H21N7S/c1-14-11-23-12-18(25-14)17-10-15-19(13-24-17)29-27-21(15)16-4-2-5-20(26-16)28-8-3-6-22-7-9-28/h2,4-5,10-13,22H,3,6-9H2,1H3
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0.700n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378498
PNG
(CHEMBL577290)
Show SMILES CCOC(=O)c1ncn-2c1Cn1cnnc1-c1ccccc-21
Show InChI InChI=1S/C15H13N5O2/c1-2-22-15(21)13-12-7-19-9-17-18-14(19)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8-9H,2,7H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266627
PNG
(CHEMBL4070117)
Show SMILES Cc1cncc(n1)-c1cc2n(ccc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C22H23N7/c1-16-13-24-15-19(26-16)18-12-20-17(14-25-18)6-10-29(20)22-5-2-4-21(27-22)28-9-3-7-23-8-11-28/h2,4-6,10,12-15,23H,3,7-9,11H2,1H3
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0.800n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378526
PNG
(CHEMBL569273)
Show SMILES CCOC(=O)c1ncn-2c1Cn1ncnc1-c1cc(OC(F)(F)F)ccc-21
Show InChI InChI=1S/C16H12F3N5O3/c1-2-26-15(25)13-12-6-24-14(20-7-22-24)10-5-9(27-16(17,18)19)3-4-11(10)23(12)8-21-13/h3-5,7-8H,2,6H2,1H3
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0.800n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50266628
PNG
(CHEMBL4089586)
Show SMILES Cc1cncc(n1)-c1cnc2cnn(-c3cccc(n3)N3CCCNCC3)c2c1
Show InChI InChI=1S/C21H22N8/c1-15-11-23-13-17(26-15)16-10-19-18(24-12-16)14-25-29(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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0.800n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2


(Homo sapiens (Human))
BDBM50378490
PNG
(CHEMBL565510)
Show SMILES O=C(C1CC1)c1ncn-2c1Cn1nccc1-c1ccccc-21
Show InChI InChI=1S/C17H14N4O/c22-17(11-5-6-11)16-15-9-21-14(7-8-19-21)12-3-1-2-4-13(12)20(15)10-18-16/h1-4,7-8,10-11H,5-6,9H2
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1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to GABAA alpha-5-beta-3-gamma-2 receptor


Bioorg Med Chem Lett 19: 5746-52 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.153
BindingDB Entry DOI: 10.7270/Q2PR7WZC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50266643
PNG
(CHEMBL4081716)
Show SMILES Cc1cncc(n1)-c1cc2c(nsc2cn1)-c1cccc(n1)N1CCCNCC1
Show InChI InChI=1S/C21H21N7S/c1-14-11-23-12-18(25-14)17-10-15-19(13-24-17)29-27-21(15)16-4-2-5-20(26-16)28-8-3-6-22-7-9-28/h2,4-5,10-13,22H,3,6-9H2,1H3
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1n/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 in presence of ATP by caliper microfluidic mobility shift as...


J Med Chem 60: 4458-4473 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00418
BindingDB Entry DOI: 10.7270/Q2H997PN
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (Human))
BDBM50248569
PNG
((1-(((R)-3-methyl-4-(4-((S)-1,1,1-trifluoro-2-hydr...)
Show SMILES C[C@@H]1CN(CC2(CC2)C(N)=O)CCN1S(=O)(=O)c1ccc(cc1)[C@](C)(O)C(F)(F)F |r|
Show InChI InChI=1S/C19H26F3N3O4S/c1-13-11-24(12-18(7-8-18)16(23)26)9-10-25(13)30(28,29)15-5-3-14(4-6-15)17(2,27)19(20,21)22/h3-6,13,27H,7-12H2,1-2H3,(H2,23,26)/t13-,17+/m1/s1
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1.10n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human 11beta-HSD1 using variable cofactor NADPH concentration by Lineweaver burk plot


Bioorg Med Chem 16: 8922-31 (2008)


Article DOI: 10.1016/j.bmc.2008.08.065
BindingDB Entry DOI: 10.7270/Q22F7N8T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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