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26 similar compounds to monomer 50122323

Compile data set for download or QSAR
Wt: 372.4
BDBM50131224
Wt: 346.3
BDBM50131229
Wt: 319.3
BDBM50122328
Wt: 428.3
BDBM50122329
Wt: 374.3
BDBM50122330
Wt: 374.3
BDBM50122332
Wt: 385.8
BDBM50122312
Wt: 395.4
BDBM50122313
Wt: 435.3
BDBM50122314
Wt: 370.3
BDBM50122315
Wt: 420.3
BDBM50122316
Wt: 382.3
BDBM50122317
Wt: 432.5
BDBM50122318
Purchase
Wt: 418.4
BDBM50122319
Wt: 433.5
BDBM50122322
Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 66 hits for monomerid = 50131224,50131229,50122328,50122329,50122330,50122332,50122312,50122313,50122314,50122315,50122316,50122317,50122318,50122319,50122322   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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US Patent
0.0100n/an/an/an/an/an/a7.2n/a



Genetech, Inc.

US Patent


Assay Description
PIM-1, PIM-2, and PIM-3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J....


US Patent US9260425 (2016)


BindingDB Entry DOI: 10.7270/Q2RR1X3X
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50131229
PNG
(CHEMBL3634773 | US9260425, 368)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-n1ccnc1
Show InChI InChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
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0.650n/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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131229
PNG
(CHEMBL3634773 | US9260425, 368)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-n1ccnc1
Show InChI InChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
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1.80n/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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50131229
PNG
(CHEMBL3634773 | US9260425, 368)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-n1ccnc1
Show InChI InChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
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1.82n/an/an/an/an/an/a7.2n/a



Genetech, Inc.

US Patent


Assay Description
PIM-1, PIM-2, and PIM-3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J....


US Patent US9260425 (2016)


BindingDB Entry DOI: 10.7270/Q2RR1X3X
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50131229
PNG
(CHEMBL3634773 | US9260425, 368)
Show SMILES C1CN(CCN1)c1cccc(n1)-c1n[nH]c2cnc(cc12)-n1ccnc1
Show InChI InChI=1S/C18H18N8/c1-2-14(22-16(3-1)25-7-4-19-5-8-25)18-13-10-17(26-9-6-20-12-26)21-11-15(13)23-24-18/h1-3,6,9-12,19H,4-5,7-8H2,(H,23,24)
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5.40n/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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122313
PNG
(CHEMBL3617512)
Show SMILES CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C22H22FN3O3/c1-3-28-19-8-10-20(11-9-19)29-14-17-12-21-22(27)25(13-15(2)26(21)24-17)18-6-4-16(23)5-7-18/h4-12,15H,3,13-14H2,1-2H3/t15-/s2
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122314
PNG
(CHEMBL3617513)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C21H17F4N3O3/c1-13-11-27(16-4-2-14(22)3-5-16)20(29)19-10-15(26-28(13)19)12-30-17-6-8-18(9-7-17)31-21(23,24)25/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122315
PNG
(CHEMBL3617514)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C19H16F2N4O2/c1-12-10-24(15-6-4-13(20)5-7-15)19(26)17-9-14(23-25(12)17)11-27-18-16(21)3-2-8-22-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/an/an/a 4.27E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122316
PNG
(CHEMBL3617515)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H16F4N4O2/c1-12-10-27(15-6-4-13(21)5-7-15)19(29)17-9-14(26-28(12)17)11-30-18-16(20(22,23)24)3-2-8-25-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122317
PNG
(CHEMBL3617516)
Show SMILES COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H19FN4O3/c1-13-11-24(16-7-5-14(21)6-8-16)20(26)17-10-15(23-25(13)17)12-28-19-18(27-2)4-3-9-22-19/h3-10,13H,11-12H2,1-2H3/t13-/s2
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n/an/an/an/a<3.16E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122312
PNG
(CHEMBL3617504)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3cccc(Cl)c3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H17ClFN3O2/c1-13-11-24(17-7-5-15(22)6-8-17)20(26)19-10-16(23-25(13)19)12-27-18-4-2-3-14(21)9-18/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/a 1.62E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122313
PNG
(CHEMBL3617512)
Show SMILES CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C22H22FN3O3/c1-3-28-19-8-10-20(11-9-19)29-14-17-12-21-22(27)25(13-15(2)26(21)24-17)18-6-4-16(23)5-7-18/h4-12,15H,3,13-14H2,1-2H3/t15-/s2
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n/an/a 1.16E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122314
PNG
(CHEMBL3617513)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C21H17F4N3O3/c1-13-11-27(16-4-2-14(22)3-5-16)20(29)19-10-15(26-28(13)19)12-30-17-6-8-18(9-7-17)31-21(23,24)25/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/a 4.07E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122315
PNG
(CHEMBL3617514)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C19H16F2N4O2/c1-12-10-24(15-6-4-13(20)5-7-15)19(26)17-9-14(23-25(12)17)11-27-18-16(21)3-2-8-22-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122316
PNG
(CHEMBL3617515)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H16F4N4O2/c1-12-10-27(15-6-4-13(21)5-7-15)19(29)17-9-14(26-28(12)17)11-30-18-16(20(22,23)24)3-2-8-25-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/a 2.94E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122317
PNG
(CHEMBL3617516)
Show SMILES COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H19FN4O3/c1-13-11-24(16-7-5-14(21)6-8-16)20(26)17-10-15(23-25(13)17)12-28-19-18(27-2)4-3-9-22-19/h3-10,13H,11-12H2,1-2H3/t13-/s2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122313
PNG
(CHEMBL3617512)
Show SMILES CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C22H22FN3O3/c1-3-28-19-8-10-20(11-9-19)29-14-17-12-21-22(27)25(13-15(2)26(21)24-17)18-6-4-16(23)5-7-18/h4-12,15H,3,13-14H2,1-2H3/t15-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122314
PNG
(CHEMBL3617513)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C21H17F4N3O3/c1-13-11-27(16-4-2-14(22)3-5-16)20(29)19-10-15(26-28(13)19)12-30-17-6-8-18(9-7-17)31-21(23,24)25/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122315
PNG
(CHEMBL3617514)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C19H16F2N4O2/c1-12-10-24(15-6-4-13(20)5-7-15)19(26)17-9-14(23-25(12)17)11-27-18-16(21)3-2-8-22-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/an/an/a 4.30E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122316
PNG
(CHEMBL3617515)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H16F4N4O2/c1-12-10-27(15-6-4-13(21)5-7-15)19(29)17-9-14(26-28(12)17)11-30-18-16(20(22,23)24)3-2-8-25-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122317
PNG
(CHEMBL3617516)
Show SMILES COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H19FN4O3/c1-13-11-24(16-7-5-14(21)6-8-16)20(26)17-10-15(23-25(13)17)12-28-19-18(27-2)4-3-9-22-19/h3-10,13H,11-12H2,1-2H3/t13-/s2
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122312
PNG
(CHEMBL3617504)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3cccc(Cl)c3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H17ClFN3O2/c1-13-11-24(17-7-5-15(22)6-8-17)20(26)19-10-16(23-25(13)19)12-27-18-4-2-3-14(21)9-18/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Modulation of rat mGlu5 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122317
PNG
(CHEMBL3617516)
Show SMILES COc1cccnc1OCc1cc2C(=O)N(C[C@@H](C)n2n1)c1ccc(F)cc1
Show InChI InChI=1/C20H19FN4O3/c1-13-11-24(16-7-5-14(21)6-8-16)20(26)17-10-15(23-25(13)17)12-28-19-18(27-2)4-3-9-22-19/h3-10,13H,11-12H2,1-2H3/t13-/s2
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n/an/a 6.76E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122316
PNG
(CHEMBL3617515)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3C(F)(F)F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C20H16F4N4O2/c1-12-10-27(15-6-4-13(21)5-7-15)19(29)17-9-14(26-28(12)17)11-30-18-16(20(22,23)24)3-2-8-25-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/a 2.95E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122315
PNG
(CHEMBL3617514)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ncccc3F)nn12)c1ccc(F)cc1
Show InChI InChI=1/C19H16F2N4O2/c1-12-10-24(15-6-4-13(20)5-7-15)19(26)17-9-14(23-25(12)17)11-27-18-16(21)3-2-8-22-18/h2-9,12H,10-11H2,1H3/t12-/s2
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n/an/a 1.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122313
PNG
(CHEMBL3617512)
Show SMILES CCOc1ccc(OCc2cc3C(=O)N(C[C@@H](C)n3n2)c2ccc(F)cc2)cc1
Show InChI InChI=1/C22H22FN3O3/c1-3-28-19-8-10-20(11-9-19)29-14-17-12-21-22(27)25(13-15(2)26(21)24-17)18-6-4-16(23)5-7-18/h4-12,15H,3,13-14H2,1-2H3/t15-/s2
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n/an/a 1.15E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50122314
PNG
(CHEMBL3617513)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(OC(F)(F)F)cc3)nn12)c1ccc(F)cc1
Show InChI InChI=1/C21H17F4N3O3/c1-13-11-27(16-4-2-14(22)3-5-16)20(29)19-10-15(26-28(13)19)12-30-17-6-8-18(9-7-17)31-21(23,24)25/h2-10,13H,11-12H2,1H3/t13-/s2
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n/an/a 4.07E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 5.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of PDE4 (unknown origin)


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Mus musculus)
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 65n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in mouse BAF3 cells assessed as reduction in STAT5 phosphorylation incubated for 2 hrs by Western blot method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 80n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of JAK2 in human SET2 cells assessed as reduction in STAT5 phosphorylation incubated for 2 hrs by Western blot method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/an/a 360n/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Binding affinity to JAK3 (unknown origin) assessed as dissociation constant


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/an/a 0.480n/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Binding affinity to JAK2 (unknown origin) assessed as dissociation constant


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/an/a 110n/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Binding affinity to JAK1 (unknown origin) assessed as dissociation constant


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 33n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Activation of PXR (unknown origin)


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 66n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 87n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 360n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK3 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 16n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122318
PNG
(BMS-911543)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C23H28N8O/c1-5-30-17(23(32)31(14-6-7-14)15-8-9-15)11-16-20-19(24-12-28(20)3)21(26-22(16)30)25-18-10-13(2)29(4)27-18/h10-12,14-15H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 75n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50122322
PNG
(CHEMBL3622147)
Show SMILES CCn1c(cc2c1nc(Nc1nc(C)n(C)n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H27N9O/c1-5-30-16(21(32)31(13-6-7-13)14-8-9-14)10-15-18-17(23-11-28(18)3)19(25-20(15)30)26-22-24-12(2)29(4)27-22/h10-11,13-14H,5-9H2,1-4H3,(H,25,26,27)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK1 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.20n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant JAK2 (unknown origin) using 5-FAM-KKKKEEIYFFFG-OH substrate and ATP incubated for 180 mins by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
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