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Compile Data Set for Download or QSAR

Found 24056 hits with Last Name = 'ly' 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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292202
PNG
(CHEMBL382542 | N-(2-Aminomethyl-5-chloro-benzyl)-2...)
Show SMILES NCc1ccc(Cl)cc1CNC(=O)Cc1c(ccc(NCC(F)(F)c2ccccn2)[n+]1[O-])C#N
Show InChI InChI=1S/C23H21ClF2N6O2/c24-18-6-4-15(11-27)17(9-18)13-30-22(33)10-19-16(12-28)5-7-21(32(19)34)31-14-23(25,26)20-3-1-2-8-29-20/h1-9,31H,10-11,13-14,27H2,(H,30,33)
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0.00100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50292203
PNG
(CHEMBL196030 | N-(5-Chloro-2-tetrazol-1-yl-benzyl)...)
Show SMILES ON1C(CCC(C#N)=C1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1)=NCC(F)(F)c1ccccn1
Show InChI InChI=1S/C23H20ClF2N9O2/c24-17-5-6-18(34-14-31-32-33-34)16(9-17)12-29-22(36)10-19-15(11-27)4-7-21(35(19)37)30-13-23(25,26)20-3-1-2-8-28-20/h1-3,5-6,8-9,14,37H,4,7,10,12-13H2,(H,29,36)/b30-21+
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0.00200n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against thrombin in human plasma


Bioorg Med Chem Lett 15: 2771-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.110
BindingDB Entry DOI: 10.7270/Q2PN96C6
More data for this
Ligand-Target Pair
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
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)


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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM554
PNG
(5-cyano-N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...)
Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C#N)c2)C(=O)O1
Show InChI InChI=1/C31H33N3O5S/c1-3-16-31(17-15-22-9-6-5-7-10-22)19-27(35)29(30(36)39-31)26(4-2)24-11-8-12-25(18-24)34-40(37,38)28-14-13-23(20-32)21-33-28/h5-14,18,21,26,29,34H,3-4,15-17,19H2,1-2H3/t26-,29?,31-/s2
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0.00700 -63.0n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 4349-53 (1996)


Article DOI: 10.1021/jm960541s
BindingDB Entry DOI: 10.7270/Q2HQ3X35
More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM558
PNG
(N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...)
Show SMILES CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1
Show InChI InChI=1/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30-/s2
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0.00800 -62.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 4349-53 (1996)


Article DOI: 10.1021/jm960541s
BindingDB Entry DOI: 10.7270/Q2HQ3X35
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
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


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)

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-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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365815
PNG
(CHEMBL1956994)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc(Br)cc4F)nc3c2=O)C1
Show InChI InChI=1/C23H26BrFN4O2/c1-14(2)28-10-4-5-16(12-28)13-29-15(3)26-19-7-9-21(27-22(19)23(29)30)31-20-8-6-17(24)11-18(20)25/h6-9,11,14,16H,4-5,10,12-13H2,1-3H3/t16-/s2
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50365814
PNG
(CHEMBL1956993)
Show SMILES CC(C)N1CCC[C@H](Cn2c(C)nc3ccc(Oc4ccc5ncsc5c4)nc3c2=O)C1
Show InChI InChI=1/C24H27N5O2S/c1-15(2)28-10-4-5-17(12-28)13-29-16(3)26-20-8-9-22(27-23(20)24(29)30)31-18-6-7-19-21(11-18)32-14-25-19/h6-9,11,14-15,17H,4-5,10,12-13H2,1-3H3/t17-/s2
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0.0100n/an/an/an/an/an/an/an/a



Prosidion Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting


Bioorg Med Chem Lett 22: 2271-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.078
BindingDB Entry DOI: 10.7270/Q20G3KMP
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-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
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030759
PNG
(CHEMBL3342194)
Show SMILES OC(=O)c1nc(sc1CCCOc1ccc(cc1)-n1cccn1)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
Show InChI InChI=1S/C33H28N6O4S2/c40-30(37-32-35-26-8-1-2-9-27(26)44-32)24-7-3-6-21-15-18-38(20-25(21)24)33-36-29(31(41)42)28(45-33)10-4-19-43-23-13-11-22(12-14-23)39-17-5-16-34-39/h1-3,5-9,11-14,16-17H,4,10,15,18-20H2,(H,41,42)(H,35,37,40)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
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)


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))
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030752
PNG
(CHEMBL3342333)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1F
Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-9-23-14-15-24(20-27(23)36)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-22-8-5-10-25(26(22)21-41)32(42)39-34-37-28-11-3-4-12-29(28)46-34/h3-5,8,10-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
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0.0100n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030754
PNG
(CHEMBL3342332)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)c(F)c1
Show InChI InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030757
PNG
(CHEMBL3342196)
Show SMILES CN1CCN(CCCNc2ncnc3n(ncc23)-c2ccc(OCCCc3sc(nc3C(O)=O)N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)cc2)CC1
Show InChI InChI=1S/C43H45N11O4S2/c1-51-20-22-52(23-21-51)18-6-17-44-38-32-25-47-54(39(32)46-27-45-38)29-12-14-30(15-13-29)58-24-5-11-36-37(41(56)57)49-43(60-36)53-19-16-28-7-4-8-31(33(28)26-53)40(55)50-42-48-34-9-2-3-10-35(34)59-42/h2-4,7-10,12-15,25,27H,5-6,11,16-24,26H2,1H3,(H,56,57)(H,44,45,46)(H,48,50,55)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030758
PNG
(CHEMBL3342195)
Show SMILES CN(C)CCCNc1ncnc2n(ncc12)-c1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
Show InChI InChI=1S/C40H40N10O4S2/c1-48(2)19-7-18-41-35-29-22-44-50(36(29)43-24-42-35)26-13-15-27(16-14-26)54-21-6-12-33-34(38(52)53)46-40(56-33)49-20-17-25-8-5-9-28(30(25)23-49)37(51)47-39-45-31-10-3-4-11-32(31)55-39/h3-5,8-11,13-16,22,24H,6-7,12,17-21,23H2,1-2H3,(H,52,53)(H,41,42,43)(H,45,47,51)
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<0.0100n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
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
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)


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))
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)


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))
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)


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))
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)


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))
BDBM50131278
PNG
(CHEMBL3634760 | US9260425, 433)
Show SMILES Cc1ccc(nc1N1CCC[C@H](N)C1)-c1n[nH]c2cnc(cc12)-c1cnn(C)c1
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)


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))
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)


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))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1
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)


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))
BDBM50131266
PNG
(CHEMBL3634758 | US9260425, 173)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CCC[C@H](N)C1
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)


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))
BDBM50131265
PNG
(CHEMBL3634757 | US9260425, 189)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CC[C@@H](N)C1
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)


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))
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)


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))
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)


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))
BDBM50131265
PNG
(CHEMBL3634757 | US9260425, 189)
Show SMILES Cn1cc(cn1)-c1cc2c(n[nH]c2cn1)-c1cccc(n1)N1CC[C@@H](N)C1
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)


Article DOI: 10.1016/j.bmcl.2015.09.052
BindingDB Entry DOI: 10.7270/Q2TT4SR7
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50337452
PNG
(2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-...)
Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
Show InChI InChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
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0.0150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
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)


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))
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)


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))
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)


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))
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)


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))
BDBM248955
PNG
(US9434725, 186)
Show SMILES COc1ccc(nc1N1CCC[C@H](N)C1)-n1ncc2cnc(cc12)-c1cncc(C)n1
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


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)

More data for this
Ligand-Target Pair
HIV-1 Protease


(Human immunodeficiency virus type 1)
BDBM557
PNG
(N-{3-[(1R)-1-[(6S)-4-hydroxy-2-oxo-6-(2-phenylethy...)
Show SMILES CCC[C@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1
Show InChI InChI=1/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,28,36H,3-4,15-17,19H2,1-2H3/t25-,28?,30+/s2
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0.0180 -60.7n/an/an/an/an/a5.022



Upjohn



Assay Description
HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...


J Med Chem 39: 4349-53 (1996)


Article DOI: 10.1021/jm960541s
BindingDB Entry DOI: 10.7270/Q2HQ3X35
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112421
PNG
(US8623889, 420)
Show SMILES Cc1c(F)cncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1
Show InChI InChI=1/C19H15F2N3O/c1-10-15(8-22-9-17(10)21)12-3-2-11-5-18(23-7-13(11)4-12)24-19(25)14-6-16(14)20/h2-5,7-9,14,16H,6H2,1H3,(H,23,24,25)/t14-,16+/s2
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US Patent
0.0186n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112312
PNG
(US8623889, 311)
Show SMILES Cc1cc(ncc1-c1ccc2cc(NC(=O)C3C[C@@H]3F)ncc2c1)[C@H](O)C(F)(F)F
Show InChI InChI=1/C21H17F4N3O2/c1-10-4-17(19(29)21(23,24)25)26-9-15(10)12-3-2-11-6-18(27-8-13(11)5-12)28-20(30)14-7-16(14)22/h2-6,8-9,14,16,19,29H,7H2,1H3,(H,27,28,30)/t14?,16-,19-/s2
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
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
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


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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112111
PNG
(US8623889, 109)
Show SMILES Cc1ccncc1-c1ccc2cc(NC(=O)C3CC3F)ncc2c1
Show InChI InChI=1/C19H16FN3O/c1-11-4-5-21-10-16(11)13-3-2-12-7-18(22-9-14(12)6-13)23-19(24)15-8-17(15)20/h2-7,9-10,15,17H,8H2,1H3,(H,22,23,24)
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US Patent
0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112066
PNG
(US8623889, 64)
Show SMILES Cc1ccc(O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H18N2O2/c1-12-2-7-17(23)10-18(12)15-6-5-14-9-19(21-11-16(14)8-15)22-20(24)13-3-4-13/h2,5-11,13,23H,3-4H2,1H3,(H,21,22,24)
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112193
PNG
(US8623889, 191)
Show SMILES Cc1cc(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H19N3O2/c1-12-6-17(11-24)21-10-18(12)15-5-4-14-8-19(22-9-16(14)7-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25)
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112230
PNG
(US8623889, 228)
Show SMILES Cc1c(F)c(CO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C20H18FN3O2/c1-11-16(9-22-17(10-25)19(11)21)14-5-4-13-7-18(23-8-15(13)6-14)24-20(26)12-2-3-12/h4-9,12,25H,2-3,10H2,1H3,(H,23,24,26)
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112161
PNG
(US8623889, 159)
Show SMILES Cc1c(F)cncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
Show InChI InChI=1S/C19H16FN3O/c1-11-16(9-21-10-17(11)20)14-5-4-13-7-18(22-8-15(13)6-14)23-19(24)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,22,23,24)
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50030756
PNG
(CHEMBL3342197)
Show SMILES CN(C)CC#Cc1ccc(OCCCc2sc(nc2C(O)=O)N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)cc1
Show InChI InChI=1S/C35H33N5O4S2/c1-39(2)19-6-8-23-14-16-25(17-15-23)44-21-7-13-30-31(33(42)43)37-35(46-30)40-20-18-24-9-5-10-26(27(24)22-40)32(41)38-34-36-28-11-3-4-12-29(28)45-34/h3-5,9-12,14-17H,7,13,18-22H2,1-2H3,(H,42,43)(H,36,38,41)
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0.0200n/an/an/an/an/an/an/an/a



AbbVie, Inc.

Curated by ChEMBL


Assay Description
Inhibition of BCL-XL (unknown origin) incubated for 1 hr by TR-FRET assay


ACS Med Chem Lett 5: 1088-93 (2014)


Article DOI: 10.1021/ml5001867
BindingDB Entry DOI: 10.7270/Q2VX0J43
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM112359
PNG
(US8623889, 358)
Show SMILES Cc1ccc2[nH]ncc2c1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1
Show InChI InChI=1/C20H16FN5O/c1-10-2-3-16-14(9-24-26-16)19(10)17-4-11-8-23-18(5-12(11)7-22-17)25-20(27)13-6-15(13)21/h2-5,7-9,13,15H,6H2,1H3,(H,24,26)(H,23,25,27)/t13-,15+/s2
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0.0200n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
Using the following procedure, varying concentration of compounds of the invention were assessed for their ability to inhibit c-Abl enzyme's phos...


US Patent US8623889 (2014)


BindingDB Entry DOI: 10.7270/Q2JQ0ZNX
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)

More data for this
Ligand-Target Pair
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