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Compile Data Set for Download or QSAR

Found 733 hits with Last Name = 'debreczeni' 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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50059171
PNG
(CHEMBL3393296)
Show SMILES CCCc1c(cnn1-c1ccccc1)C(=O)Nc1cc(ccc1C)S(=O)(=O)N(C)C
Show InChI InChI=1S/C22H26N4O3S/c1-5-9-21-19(15-23-26(21)17-10-7-6-8-11-17)22(27)24-20-14-18(13-12-16(20)2)30(28,29)25(3)4/h6-8,10-15H,5,9H2,1-4H3,(H,24,27)
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14n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50418818
PNG
(CHEMBL1796293)
Show SMILES O=C(NCc1ccncc1)c1ccc(Oc2ccccc2C#N)cc1
Show InChI InChI=1S/C20H15N3O2/c21-13-17-3-1-2-4-19(17)25-18-7-5-16(6-8-18)20(24)23-14-15-9-11-22-12-10-15/h1-12H,14H2,(H,23,24)
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290n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant 5'-c-myc, His6-tagged p38-alpha using MK2 (46-400) as substrate


J Med Chem 58: 278-93 (2015)


Article DOI: 10.1021/jm501038s
BindingDB Entry DOI: 10.7270/Q269758W
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094465
PNG
(CHEMBL3590106)
Show SMILES CC(C)Nc1cc(-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c(Cl)cn1
Show InChI InChI=1S/C19H21NO3/c21-18(23-17-11-13-20-14-12-17)19(22,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,20,22H,11-14H2
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a<0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011503
PNG
(CHEMBL3261927)
Show SMILES CS(=O)(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1
Show InChI InChI=1S/C22H25N3O4S/c1-30(27,28)20-4-2-3-18(14-20)17-7-5-16(6-8-17)13-19(15-23)25-21(26)22(24)9-11-29-12-10-22/h2-8,14,19H,9-13,24H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/a 0.794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50177903
PNG
(CHEMBL3814825)
Show SMILES CN1CCC(CC1)n1cc(cn1)-c1cnc(N)c(n1)-c1nc2ccccc2n1-c1cccc(NC(=O)C=C)c1
Show InChI InChI=1S/C29H29N9O/c1-3-26(39)33-20-7-6-8-22(15-20)38-25-10-5-4-9-23(25)35-29(38)27-28(30)31-17-24(34-27)19-16-32-37(18-19)21-11-13-36(2)14-12-21/h3-10,15-18,21H,1,11-14H2,2H3,(H2,30,31)(H,33,39)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal GST-tagged human EGFR T790M/L858R double mutant using biotinylated TK substrate incubated for 50 mins by HTRF as...


ACS Med Chem Lett 7: 514-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00058
BindingDB Entry DOI: 10.7270/Q2474CSN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011506
PNG
(CHEMBL3261920)
Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1
Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081185
PNG
(CHEMBL3421963)
Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)16-3-4-19(22(11-16)31-2)28-23-12-20(26-15-27-23)18-13-25-21-14-24-6-5-17(18)21/h3-6,11-15,25H,7-10H2,1-2H3,(H,26,27,28)
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n/an/a 1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50186088
PNG
((S)-2-amino-N-((S)-2-(biphenyl-4-yl)-1-cyanoethyl)...)
Show SMILES CC[C@H](N)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C19H21N3O/c1-2-18(21)19(23)22-17(13-20)12-14-8-10-16(11-9-14)15-6-4-3-5-7-15/h3-11,17-18H,2,12,21H2,1H3,(H,22,23)/t17-,18-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427336
PNG
(CHEMBL2325992 | US9492453, 11)
Show SMILES CN(C)CCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011501
PNG
(CHEMBL3261925)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N
Show InChI InChI=1S/C21H23N3O2/c22-15-19(24-20(25)21(23)10-12-26-13-11-21)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-9,19H,10-14,23H2,(H,24,25)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081186
PNG
(CHEMBL3421962)
Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1
Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011500
PNG
(CHEMBL3261924)
Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427361
PNG
(CHEMBL2325727 | US9492453, 11A)
Show SMILES CN(C)CC[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN7O/c1-30(2)12-8-19(16-3-5-17(24)6-4-16)29-22(32)23(25)9-13-31(14-10-23)21-18-7-11-26-20(18)27-15-28-21/h3-7,11,15,19H,8-10,12-14,25H2,1-2H3,(H,29,32)(H,26,27,28)/t19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081174
PNG
(CHEMBL3421968)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082118
PNG
(CHEMBL3422678)
Show SMILES Cc1noc(C)c1Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
Show InChI InChI=1S/C25H24N6O3/c1-15-21(16(2)34-30-15)14-31-24-10-9-19(12-20(24)23(13-26)29-31)33-18-7-5-17(6-8-18)28-25(32)22-4-3-11-27-22/h5-10,12,22,27H,3-4,11,14H2,1-2H3,(H,28,32)/t22-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081188
PNG
(CHEMBL3421981)
Show SMILES c1cc2c(ccnc2[nH]1)-c1c[nH]c2cnccc12
Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17)
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n/an/a 3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094471
PNG
(CHEMBL3590120)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccncc1NC(=O)C=C
Show InChI InChI=1S/C22H27NO3/c1-17(2)23-15-13-20(14-16-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,25H,13-16H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011500
PNG
(CHEMBL3261924)
Show SMILES NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C23H24N4O/c24-15-18-6-10-20(11-7-18)19-8-4-17(5-9-19)14-21(16-25)27-22(28)23(26)12-2-1-3-13-23/h4-11,21H,1-3,12-14,26H2,(H,27,28)/t21-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094464
PNG
(CHEMBL3590107)
Show SMILES O=C(CN1CC[C@H](C1)C(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1)N1CCN(CC1)c1ccc(cc1)-c1ncccn1
Show InChI InChI=1S/C22H27NO3/c1-2-15-23-16-13-20(14-17-23)26-21(24)22(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20,25H,2,13-17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of ERK2 in human A375 cells harboring B-RAF V600E mutant assessed as decrease in phospho-ERK2 level after 2 hrs by Cellomics ArrayScanTM V...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081181
PNG
(CHEMBL3421967)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1
Show InChI InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427334
PNG
(CHEMBL2325994 | US9492453, 47)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-7-5-19(6-8-20)22(4-3-15-33-13-1-2-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-9-12-29-23(21)30-18-31-24/h5-9,12,18,22H,1-4,10-11,13-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427331
PNG
(CHEMBL2325728 | US9492453, 55)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H32ClN7O/c26-19-5-3-18(4-6-19)21(8-14-32-12-1-2-13-32)31-24(34)25(27)9-15-33(16-10-25)23-20-7-11-28-22(20)29-17-30-23/h3-7,11,17,21H,1-2,8-10,12-16,27H2,(H,31,34)(H,28,29,30)/t21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM256836
PNG
(BDBM50427349 | US9492453, 15)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@H](CCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClN6O2/c22-15-3-1-14(2-4-15)17(6-12-29)27-20(30)21(23)7-10-28(11-8-21)19-16-5-9-24-18(16)25-13-26-19/h1-5,9,13,17,29H,6-8,10-12,23H2,(H,27,30)(H,24,25,26)/t17-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50427335
PNG
(CHEMBL2325993 | US9492453, 25)
Show SMILES CN(C)CCCC(NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H32ClN7O/c1-31(2)13-3-4-20(17-5-7-18(25)8-6-17)30-23(33)24(26)10-14-32(15-11-24)22-19-9-12-27-21(19)28-16-29-22/h5-9,12,16,20H,3-4,10-11,13-15,26H2,1-2H3,(H,30,33)(H,27,28,29)
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427347
PNG
(CHEMBL2325743 | US9492453, 2)
Show SMILES C[C@H](NC(=O)C1(N)CCN(CC1)c1ncnc2[nH]ccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN6O/c1-13(14-2-4-15(21)5-3-14)26-19(28)20(22)7-10-27(11-8-20)18-16-6-9-23-17(16)24-12-25-18/h2-6,9,12-13H,7-8,10-11,22H2,1H3,(H,26,28)(H,23,24,25)/t13-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 (PFKFB3)


(Homo sapiens (Human))
BDBM50082117
PNG
(CHEMBL3422677)
Show SMILES CC(C)Cn1nc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
Show InChI InChI=1S/C23H25N5O2/c1-15(2)14-28-22-10-9-18(12-19(22)21(13-24)27-28)30-17-7-5-16(6-8-17)26-23(29)20-4-3-11-25-20/h5-10,12,15,20,25H,3-4,11,14H2,1-2H3,(H,26,29)/t20-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay


J Med Chem 58: 3611-25 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00352
BindingDB Entry DOI: 10.7270/Q2571DQB
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081180
PNG
(CHEMBL3421969)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(H,25,28,29)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011509
PNG
(CHEMBL3261923)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H](O)CCN2)C#N)cc1
Show InChI InChI=1S/C24H26N4O3/c1-28-14-18-11-17(6-7-21(18)24(28)31)16-4-2-15(3-5-16)10-19(13-25)27-23(30)22-12-20(29)8-9-26-22/h2-7,11,19-20,22,26,29H,8-10,12,14H2,1H3,(H,27,30)/t19-,20-,22-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011506
PNG
(CHEMBL3261920)
Show SMILES CSc1cc(ccc1C#N)-c1ccc(C[C@H](NC(=O)[C@@H]2CCCCN2)C#N)cc1
Show InChI InChI=1S/C23H24N4OS/c1-29-22-13-18(9-10-19(22)14-24)17-7-5-16(6-8-17)12-20(15-25)27-23(28)21-4-2-3-11-26-21/h5-10,13,20-21,26H,2-4,11-12H2,1H3,(H,27,28)/t20-,21-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM35948
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 12)
Show SMILES COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1
Show InChI InChI=1S/C24H22N4O2/c1-16-13-22(24(27-17(16)2)21-9-4-5-11-25-21)30-20-10-12-26-23(15-20)28-18-7-6-8-19(14-18)29-3/h4-15H,1-3H3,(H,26,28)
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n/an/a 4n/a 32n/an/a7.423



AstraZeneca



Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011502
PNG
(CHEMBL3261926)
Show SMILES NC1(CCOCC1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C22H22N4O2/c23-14-17-3-7-19(8-4-17)18-5-1-16(2-6-18)13-20(15-24)26-21(27)22(25)9-11-28-12-10-22/h1-8,20H,9-13,25H2,(H,26,27)/t20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of cathepsin C in human THP1 cells assessed as inhibition of H-Gly-Phe-AFC cleavage by fluorescence assay


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011504
PNG
(CHEMBL3261928)
Show SMILES CN1Cc2ccc(cc2C1=O)-c1ccc(C[C@H](NC(=O)C2(N)CCOCC2)C#N)cc1
Show InChI InChI=1S/C24H26N4O3/c1-28-15-19-7-6-18(13-21(19)22(28)29)17-4-2-16(3-5-17)12-20(14-25)27-23(30)24(26)8-10-31-11-9-24/h2-7,13,20H,8-12,15,26H2,1H3,(H,27,30)/t20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
Dipeptidyl peptidase I


(Homo sapiens (Human))
BDBM50011508
PNG
(CHEMBL3261922)
Show SMILES O[C@H]1CCN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N
Show InChI InChI=1S/C22H22N4O2/c23-13-16-3-7-18(8-4-16)17-5-1-15(2-6-17)11-19(14-24)26-22(28)21-12-20(27)9-10-25-21/h1-8,19-21,25,27H,9-12H2,(H,26,28)/t19-,20-,21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin C using H-Gly-Arg-AMC as substrate preincubated for 30 mins before substrate addition measured after 60 min...


J Med Chem 57: 2357-67 (2014)


Article DOI: 10.1021/jm401705g
BindingDB Entry DOI: 10.7270/Q20866VB
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427345
PNG
(CHEMBL2325983 | US9492453, 4)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(C1CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClN6O/c23-16-5-3-15(4-6-16)18(14-1-2-14)28-21(30)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-13-27-20/h3-7,10,13-14,18H,1-2,8-9,11-12,24H2,(H,28,30)(H,25,26,27)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427333
PNG
(CHEMBL2325995 | US9492453, 48)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCOCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O2/c27-20-5-3-19(4-6-20)22(2-1-11-33-14-16-36-17-15-33)32-25(35)26(28)8-12-34(13-9-26)24-21-7-10-29-23(21)30-18-31-24/h3-7,10,18,22H,1-2,8-9,11-17,28H2,(H,32,35)(H,29,30,31)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427332
PNG
(CHEMBL2325996 | US9492453, 49)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H36ClN7O/c28-21-8-6-20(7-9-21)23(5-4-16-34-14-2-1-3-15-34)33-26(36)27(29)11-17-35(18-12-27)25-22-10-13-30-24(22)31-19-32-25/h6-10,13,19,23H,1-5,11-12,14-18,29H2,(H,33,36)(H,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50081179
PNG
(CHEMBL3421970)
Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29)
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins


J Med Chem 58: 2834-44 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50094304
PNG
(CHEMBL3590118 | US9796700, Compound I-108)
Show SMILES Clc1cnc(NC2CCOCC2)nc1Nc1ccccc1NC(=O)C=C
Show InChI InChI=1S/C27H41N5O3/c28-14-6-17-29-15-4-5-16-30-18-7-19-31-27(35)25(20-23-10-12-24(33)13-11-23)32-26(34)21-22-8-2-1-3-9-22/h1-3,8-13,25,29-30,33H,4-7,14-21,28H2,(H,31,35)(H,32,34)/t25-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MEK U911-activated ERK2 (unknown origin) using Erktide as substrate preincubated with enzyme for 20 mins prior to substrate addition by...


J Med Chem 58: 4790-801 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00466
BindingDB Entry DOI: 10.7270/Q2V989SJ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427351
PNG
(CHEMBL2325739 | US9492453, 7)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCCO)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H27ClN6O2/c23-16-5-3-15(4-6-16)18(2-1-13-30)28-21(31)22(24)8-11-29(12-9-22)20-17-7-10-25-19(17)26-14-27-20/h3-7,10,14,18,30H,1-2,8-9,11-13,24H2,(H,28,31)(H,25,26,27)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM50427360
PNG
(CHEMBL2325729 | US9492453, 52)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H34ClN7O/c27-20-6-4-19(5-7-20)22(9-15-33-13-2-1-3-14-33)32-25(35)26(28)10-16-34(17-11-26)24-21-8-12-29-23(21)30-18-31-24/h4-8,12,18,22H,1-3,9-11,13-17,28H2,(H,32,35)(H,29,30,31)/t22-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt3 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50427355
PNG
(CHEMBL2325734 | US9492453, 65)
Show SMILES NC1(CCN(CC1)c1ncnc2[nH]ccc12)C(=O)NC(CCS(N)(=O)=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN7O3S/c22-15-3-1-14(2-4-15)17(6-12-33(24,31)32)28-20(30)21(23)7-10-29(11-8-21)19-16-5-9-25-18(16)26-13-27-19/h1-5,9,13,17H,6-8,10-12,23H2,(H,28,30)(H2,24,31,32)(H,25,26,27)
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n/an/a 6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant Akt1 (unknown origin) using 5-FAM-labeled peptide as substrate after 1 hr by caliper off-chip incubation mobility shift ass...


J Med Chem 56: 2059-73 (2013)


Article DOI: 10.1021/jm301762v
BindingDB Entry DOI: 10.7270/Q2QR4ZFN
More data for this
Ligand-Target Pair
TGF-beta receptor type I


(Homo sapiens (Human))
BDBM35949
PNG
(4-pyridinoxy-2-anilinopyridine-based compound, 13)
Show SMILES Cc1cc(Oc2ccnc(Nc3cccc(c3)N3CCOCC3)c2)c(nc1C)-c1ccccn1
Show InChI InChI=1S/C27H27N5O2/c1-19-16-25(27(30-20(19)2)24-8-3-4-10-28-24)34-23-9-11-29-26(18-23)31-21-6-5-7-22(17-21)32-12-14-33-15-13-32/h3-11,16-18H,12-15H2,1-2H3,(H,29,31)
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n/an/a 6n/a 62n/an/a7.423



AstraZeneca



Assay Description
A fluorescence polarization assay was used to assess the ALK5 binding capacity and biochemical activity of compounds. ALK5 protein was added to each ...


J Med Chem 52: 7901-5 (2009)


Article DOI: 10.1021/jm900807w
BindingDB Entry DOI: 10.7270/Q2KS6PXG
More data for this
Ligand-Target Pair
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