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20 similar compounds to monomer 50102666

Compile data set for download or QSAR
Wt: 527.6
BDBM50102608
Wt: 459.4
BDBM50102676
Wt: 463.4
BDBM50102677
Wt: 463.4
BDBM50102679
Wt: 488.5
BDBM50102595
Wt: 549.4
BDBM50102597
Wt: 596.4
BDBM50102598
Wt: 277.3
BDBM50102612
Purchase
Wt: 337.3
BDBM50102617
Purchase
Wt: 267.2
BDBM50102618
Purchase
Wt: 360.3
BDBM50102619
Wt: 195.2
BDBM50102624
Purchase
Wt: 342.1
BDBM50102629
Wt: 342.3
BDBM50102639
Wt: 302.3
BDBM50102642
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 51 hits for monomerid = 50102608,50102676,50102677,50102679,50102595,50102597,50102598,50102612,50102617,50102618,50102619,50102624,50102629,50102639,50102642   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.10n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


J Med Chem 44: 3351-4 (2001)


Article DOI: 10.1021/jm0155502
BindingDB Entry DOI: 10.7270/Q2VD6XRT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloprotease-9


J Med Chem 44: 3351-4 (2001)


Article DOI: 10.1021/jm0155502
BindingDB Entry DOI: 10.7270/Q2VD6XRT
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-9.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-7


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of porcine TNF-alpha converting enzyme(pTACE).


J Med Chem 44: 3351-4 (2001)


Article DOI: 10.1021/jm0155502
BindingDB Entry DOI: 10.7270/Q2VD6XRT
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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4.20n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of porcine TNF-alpha converting enzyme (pTACE).


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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7.80n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of human matrix metalloproteinase-1


J Med Chem 44: 3351-4 (2001)


Article DOI: 10.1021/jm0155502
BindingDB Entry DOI: 10.7270/Q2VD6XRT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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13n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
In vitro inhibition of human MMP-1.


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase 15


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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71n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-15


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase 16


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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107n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-16


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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140n/an/an/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-14


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50102639
PNG
(CHEMBL3335678)
Show SMILES FC(F)(F)CN1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C14H17F3N6O/c15-14(16,17)8-23-5-1-2-9(7-23)20-13(24)22-11-6-19-12-10(21-11)3-4-18-12/h3-4,6,9H,1-2,5,7-8H2,(H,18,19)(H2,20,21,22,24)
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n/an/a 7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


Bioorg Med Chem Lett 24: 4969-75 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.031
BindingDB Entry DOI: 10.7270/Q25X2BPB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50102642
PNG
(CHEMBL3335680)
Show SMILES CC(=O)N1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C14H18N6O2/c1-9(21)20-6-2-3-10(8-20)17-14(22)19-12-7-16-13-11(18-12)4-5-15-13/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H2,17,18,19,22)
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n/an/a 92n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


Bioorg Med Chem Lett 24: 4969-75 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.031
BindingDB Entry DOI: 10.7270/Q25X2BPB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50102639
PNG
(CHEMBL3335678)
Show SMILES FC(F)(F)CN1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C14H17F3N6O/c15-14(16,17)8-23-5-1-2-9(7-23)20-13(24)22-11-6-19-12-10(21-11)3-4-18-12/h3-4,6,9H,1-2,5,7-8H2,(H,18,19)(H2,20,21,22,24)
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n/an/a 30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


Bioorg Med Chem Lett 24: 4969-75 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.031
BindingDB Entry DOI: 10.7270/Q25X2BPB
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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n/an/a 1.43E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human JAK3 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102679
PNG
(CHEMBL3343035)
Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(nc2cc1O)-c1ccccn1
Show InChI InChI=1S/C27H21N5O3/c1-35-24-15-20-22(16-23(24)33)31-26(21-9-5-6-14-28-21)32-25(20)29-18-10-12-19(13-11-18)30-27(34)17-7-3-2-4-8-17/h2-16,33H,1H3,(H,30,34)(H,29,31,32)
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n/an/a 2.70E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK9 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CDK9 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Bifunctional protein (GlmU)


(Escherichia coli)
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102676
PNG
(CHEMBL3343055)
Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1


(Homo sapiens (Human))
BDBM50102677
PNG
(CHEMBL3343057)
Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
Show InChI InChI=1S/C24H25N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h5-8,10-13,20,25H,2-4,9H2,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)
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n/an/a>3.00E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human IRAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay


Bioorg Med Chem 22: 6256-69 (2014)


Article DOI: 10.1016/j.bmc.2014.08.017
BindingDB Entry DOI: 10.7270/Q2SN0BR9
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102619
PNG
(CHEMBL3342922)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)c2cc([nH]n2)-c2ccccc2)no1
Show InChI InChI=1S/C20H16N4O3/c1-26-15-9-7-14(8-10-15)18-12-19(24-27-18)21-20(25)17-11-16(22-23-17)13-5-3-2-4-6-13/h2-12H,1H3,(H,22,23)(H,21,24,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102618
PNG
(CHEMBL3342921)
Show SMILES O=C(NCc1ccco1)c1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C15H13N3O2/c19-15(16-10-12-7-4-8-20-12)14-9-13(17-18-14)11-5-2-1-3-6-11/h1-9H,10H2,(H,16,19)(H,17,18)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102617
PNG
(CHEMBL3342920)
Show SMILES COc1ccc(CNC(=O)c2cc([nH]n2)-c2ccccc2)cc1OC
Show InChI InChI=1S/C19H19N3O3/c1-24-17-9-8-13(10-18(17)25-2)12-20-19(23)16-11-15(21-22-16)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102612
PNG
(CHEMBL3342916)
Show SMILES O=C(NCc1ccccc1)c1cc([nH]n1)-c1ccccc1
Show InChI InChI=1S/C17H15N3O/c21-17(18-12-13-7-3-1-4-8-13)16-11-15(19-20-16)14-9-5-2-6-10-14/h1-11H,12H2,(H,18,21)(H,19,20)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50102598
PNG
(CHEMBL3342905)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(I)cc3)[C@@H]1CC(C=O)=C2n1ccnc1
Show InChI InChI=1S/C30H33IN2O3/c1-29-11-9-23(36-28(35)19-3-6-22(31)7-4-19)16-21(29)5-8-24-25(29)10-12-30(2)26(24)15-20(17-34)27(30)33-14-13-32-18-33/h3-7,13-14,17-18,23-26H,8-12,15-16H2,1-2H3/t23-,24+,25-,26-,29-,30-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



National University of Mexico

Curated by ChEMBL


Assay Description
Inhibition of rat liver 5alpha-reductase type 1 assessed as conversion of [3H]testosterone to dihydrotestosterone


Bioorg Med Chem 22: 6233-41 (2014)


Article DOI: 10.1016/j.bmc.2014.08.019
BindingDB Entry DOI: 10.7270/Q2K35WFD
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50102597
PNG
(CHEMBL3342904)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(Br)cc3)[C@@H]1CC(C=O)=C2n1ccnc1
Show InChI InChI=1S/C30H33BrN2O3/c1-29-11-9-23(36-28(35)19-3-6-22(31)7-4-19)16-21(29)5-8-24-25(29)10-12-30(2)26(24)15-20(17-34)27(30)33-14-13-32-18-33/h3-7,13-14,17-18,23-26H,8-12,15-16H2,1-2H3/t23-,24+,25-,26-,29-,30-/m0/s1
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n/an/a 9.45E+4n/an/an/an/an/an/a



National University of Mexico

Curated by ChEMBL


Assay Description
Inhibition of rat liver 5alpha-reductase type 1 assessed as conversion of [3H]testosterone to dihydrotestosterone


Bioorg Med Chem 22: 6233-41 (2014)


Article DOI: 10.1016/j.bmc.2014.08.019
BindingDB Entry DOI: 10.7270/Q2K35WFD
More data for this
Ligand-Target Pair
Steroid 5-alpha-reductase


(Rattus norvegicus)
BDBM50102595
PNG
(CHEMBL3342902)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(F)cc3)[C@@H]1CC(C=O)=C2n1ccnc1
Show InChI InChI=1S/C30H33FN2O3/c1-29-11-9-23(36-28(35)19-3-6-22(31)7-4-19)16-21(29)5-8-24-25(29)10-12-30(2)26(24)15-20(17-34)27(30)33-14-13-32-18-33/h3-7,13-14,17-18,23-26H,8-12,15-16H2,1-2H3/t23-,24+,25-,26-,29-,30-/m0/s1
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n/an/a 3.20E+5n/an/an/an/an/an/a



National University of Mexico

Curated by ChEMBL


Assay Description
Inhibition of rat liver 5alpha-reductase type 1 assessed as conversion of [3H]testosterone to dihydrotestosterone


Bioorg Med Chem 22: 6233-41 (2014)


Article DOI: 10.1016/j.bmc.2014.08.019
BindingDB Entry DOI: 10.7270/Q2K35WFD
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50102608
PNG
(11-Isobutyl-2,10-dioxo-1-oxa-3,9-diaza-cyclopentad...)
Show SMILES CC(C)C[C@@H]1[C@H](CCCOC(=O)NCCCC[C@H](NC1=O)C(=O)NCC(=O)N1CCOCC1)C(=O)NO
Show InChI InChI=1S/C24H41N5O8/c1-16(2)14-18-17(22(32)28-35)6-5-11-37-24(34)25-8-4-3-7-19(27-21(18)31)23(33)26-15-20(30)29-9-12-36-13-10-29/h16-19,35H,3-15H2,1-2H3,(H,25,34)(H,26,33)(H,27,31)(H,28,32)/t17-,18+,19-/m0/s1
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n/an/a 67n/an/an/an/an/an/a



DuPont Pharmaceuticals Company

Curated by ChEMBL


Assay Description
Inhibition of LPS-stimulated TNF-alpha release in human whole blood


J Med Chem 44: 2636-60 (2001)


Article DOI: 10.1021/jm010127e
BindingDB Entry DOI: 10.7270/Q2FB53NR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50102642
PNG
(CHEMBL3335680)
Show SMILES CC(=O)N1CCCC(C1)NC(=O)Nc1cnc2[nH]ccc2n1
Show InChI InChI=1S/C14H18N6O2/c1-9(21)20-6-2-3-10(8-20)17-14(22)19-12-7-16-13-11(18-12)4-5-15-13/h4-5,7,10H,2-3,6,8H2,1H3,(H,15,16)(H2,17,18,19,22)
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n/an/a 82n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEYYTVKD incubated for 10 mins prior to substrate addition measured afte...


Bioorg Med Chem Lett 24: 4969-75 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.031
BindingDB Entry DOI: 10.7270/Q25X2BPB
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102624
PNG
(CHEMBL1234032)
Show SMILES c1ccc2c(n[nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C12H9N3/c1-2-4-11-10(3-1)12(15-14-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
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n/an/a 1.59E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of JNK (unknown origin)


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
c-Jun N-terminal kinase, JNK


(Homo sapiens (Human))
BDBM50102629
PNG
(CHEMBL3342912)
Show SMILES Brc1ccc(NC(=O)c2cc([nH]n2)-c2ccccc2)cc1
Show InChI InChI=1S/C16H12BrN3O/c17-12-6-8-13(9-7-12)18-16(21)15-10-14(19-20-15)11-4-2-1-3-5-11/h1-10H,(H,18,21)(H,19,20)
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n/an/a 5.90E+3n/an/an/an/an/an/a



Kakatiya University

Curated by ChEMBL


Assay Description
Inhibition of FLAG-tagged JNK-1 (unknown origin) transfected in African green monkey COS cells by SDS-PAGE analysis


Bioorg Med Chem 22: 6209-19 (2014)


Article DOI: 10.1016/j.bmc.2014.08.028
BindingDB Entry DOI: 10.7270/Q2FB54Q2
More data for this
Ligand-Target Pair
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