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Compile Data Set for Download or QSAR

Found 238 hits with Last Name = 'browner' and Initial = 'mf'   
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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287379
PNG
(4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1
Show InChI InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
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n/an/a 0.230n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.260n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.440n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426607
PNG
(CHEMBL2325897)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16+/m0/s1
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n/an/a 0.470n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426599
PNG
(CHEMBL2325898)
Show SMILES O=C(N[C@H](C1CC1)C(=O)N1CC[C@@H](C1)C#N)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C20H22N6O2/c21-7-11-5-6-26(10-11)20(28)16(13-3-4-13)25-19(27)14-8-22-18-17(14)24-15(9-23-18)12-1-2-12/h8-9,11-13,16H,1-6,10H2,(H,22,23)(H,25,27)/t11-,16-/m1/s1
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n/an/a 0.590n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50287379
PNG
(4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1
Show InChI InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287376
PNG
(2-[(S)-1-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O5/c1-12(2)8-15(11-19(27)26-30)21(28)25-18(9-13(3)4)20-23-16-7-6-14(22(29)31-5)10-17(16)24-20/h6-7,10,12-13,15,18,30H,8-9,11H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/t15-,18+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287383
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-3-methyl-1-(...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H32N4O3/c1-14(2)10-17(12-20(27)26-29)22(28)25-18(11-15(3)4)21-23-13-19(24-21)16-8-6-5-7-9-16/h5-9,13-15,17-18,29H,10-12H2,1-4H3,(H,23,24)(H,25,28)(H,26,27)/t17-,18+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426606
PNG
(CHEMBL2325903)
Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C
Show InChI InChI=1S/C16H22N4O/c1-9(16(2,3)4)19-15(21)11-7-17-14-13(11)20-12(8-18-14)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,17,18)(H,19,21)/t9-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426604
PNG
(CHEMBL2325906)
Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C#N
Show InChI InChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287378
PNG
((R)-N*1*-[(S)-1-(1H-Benzoimidazol-2-yl)-3-methyl-b...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H30N4O3/c1-12(2)9-14(11-18(25)24-27)20(26)23-17(10-13(3)4)19-21-15-7-5-6-8-16(15)22-19/h5-8,12-14,17,27H,9-11H2,1-4H3,(H,21,22)(H,23,26)(H,24,25)/t14-,17+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287376
PNG
(2-[(S)-1-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O5/c1-12(2)8-15(11-19(27)26-30)21(28)25-18(9-13(3)4)20-23-16-7-6-14(22(29)31-5)10-17(16)24-20/h6-7,10,12-13,15,18,30H,8-9,11H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/t15-,18+/m1/s1
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n/an/a 3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287381
PNG
((S)-2-Cyclohexyl-N*4*-hydroxy-N*1*-[(S)-3-methyl-1...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CC(=O)NO)C1CCCCC1)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C24H34N4O3/c1-16(2)13-20(23-25-15-21(26-23)18-11-7-4-8-12-18)27-24(30)19(14-22(29)28-31)17-9-5-3-6-10-17/h4,7-8,11-12,15-17,19-20,31H,3,5-6,9-10,13-14H2,1-2H3,(H,25,26)(H,27,30)(H,28,29)/t19-,20-/m0/s1
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n/an/a 3.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426601
PNG
(CHEMBL2325895)
Show SMILES CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C20H24N6O2/c1-20(2,3)16(19(28)26-9-11(6-21)10-26)25-18(27)13-7-22-17-15(13)24-14(8-23-17)12-4-5-12/h7-8,11-12,16H,4-5,9-10H2,1-3H3,(H,22,23)(H,25,27)/t16-/m0/s1
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n/an/a 3.20n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Stromelysin-1


(Homo sapiens (Human))
BDBM50287376
PNG
(2-[(S)-1-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C22H32N4O5/c1-12(2)8-15(11-19(27)26-30)21(28)25-18(9-13(3)4)20-23-16-7-6-14(22(29)31-5)10-17(16)24-20/h6-7,10,12-13,15,18,30H,8-9,11H2,1-5H3,(H,23,24)(H,25,28)(H,26,27)/t15-,18+/m1/s1
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n/an/a 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287380
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(6-methoxy...)
Show SMILES COc1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H32N4O4/c1-12(2)8-14(10-19(26)25-28)21(27)24-18(9-13(3)4)20-22-16-7-6-15(29-5)11-17(16)23-20/h6-7,11-14,18,28H,8-10H2,1-5H3,(H,22,23)(H,24,27)(H,25,26)/t14-,18+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287379
PNG
(4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1
Show InChI InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287377
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-3-methyl-1-(...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N4O3/c1-11(2)7-13(9-18(29)28-31)20(30)27-17(8-12(3)4)19-25-15-6-5-14(21(22,23)24)10-16(15)26-19/h5-6,10-13,17,31H,7-9H2,1-4H3,(H,25,26)(H,27,30)(H,28,29)/t13-,17+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426616
PNG
(CHEMBL2325899)
Show SMILES CC(C)[C@H](C)NC(=O)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C15H20N4O/c1-8(2)9(3)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t9-/m0/s1
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n/an/a 7.80n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50287378
PNG
((R)-N*1*-[(S)-1-(1H-Benzoimidazol-2-yl)-3-methyl-b...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H30N4O3/c1-12(2)9-14(11-18(25)24-27)20(26)23-17(10-13(3)4)19-21-15-7-5-6-8-16(15)22-19/h5-8,12-14,17,27H,9-11H2,1-4H3,(H,21,22)(H,23,26)(H,24,25)/t14-,17+/m1/s1
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426602
PNG
(CHEMBL2325894)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CC(C1)C#N
Show InChI InChI=1S/C17H18N6O2/c1-9(17(25)23-7-10(4-18)8-23)21-16(24)12-5-19-15-14(12)22-13(6-20-15)11-2-3-11/h5-6,9-11H,2-3,7-8H2,1H3,(H,19,20)(H,21,24)/t9-/m1/s1
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n/an/a 8.20n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426615
PNG
(CHEMBL2325900)
Show SMILES CC(NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C1CC1
Show InChI InChI=1S/C15H18N4O/c1-8(9-2-3-9)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,2-5H2,1H3,(H,16,17)(H,18,20)
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n/an/a 8.60n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287375
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-imidazol-2-yl)-3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1ncc[nH]1
Show InChI InChI=1S/C16H28N4O3/c1-10(2)7-12(9-14(21)20-23)16(22)19-13(8-11(3)4)15-17-5-6-18-15/h5-6,10-13,23H,7-9H2,1-4H3,(H,17,18)(H,19,22)(H,20,21)/t12-,13+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426617
PNG
(CHEMBL2325902)
Show SMILES CC[C@H](C)NC(=O)c1c[nH]c2ncc(nc12)C1CC1
Show InChI InChI=1S/C14H18N4O/c1-3-8(2)17-14(19)10-6-15-13-12(10)18-11(7-16-13)9-4-5-9/h6-9H,3-5H2,1-2H3,(H,15,16)(H,17,19)/t8-/m0/s1
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n/an/a 9.60n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287377
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-3-methyl-1-(...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N4O3/c1-11(2)7-13(9-18(29)28-31)20(30)27-17(8-12(3)4)19-25-15-6-5-14(21(22,23)24)10-16(15)26-19/h5-6,10-13,17,31H,7-9H2,1-4H3,(H,25,26)(H,27,30)(H,28,29)/t13-,17+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287380
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(6-methoxy...)
Show SMILES COc1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H32N4O4/c1-12(2)8-14(10-19(26)25-28)21(27)24-18(9-13(3)4)20-22-16-7-6-15(29-5)11-17(16)23-20/h6-7,11-14,18,28H,8-10H2,1-5H3,(H,22,23)(H,24,27)(H,25,26)/t14-,18+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287385
PNG
((R)-N*1*-[1-(1H-Benzoimidazol-2-yl)-2-(1H-indol-3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H29N5O3/c1-15(2)11-16(13-23(31)30-33)25(32)29-22(24-27-20-9-5-6-10-21(20)28-24)12-17-14-26-19-8-4-3-7-18(17)19/h3-10,14-16,22,26,33H,11-13H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t16-,22+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426604
PNG
(CHEMBL2325906)
Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C#N
Show InChI InChI=1S/C16H19N5O/c1-9(16(2,3)8-17)20-15(22)11-6-18-14-13(11)21-12(7-19-14)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3,(H,18,19)(H,20,22)/t9-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426606
PNG
(CHEMBL2325903)
Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)C
Show InChI InChI=1S/C16H22N4O/c1-9(16(2,3)4)19-15(21)11-7-17-14-13(11)20-12(8-18-14)10-5-6-10/h7-10H,5-6H2,1-4H3,(H,17,18)(H,19,21)/t9-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426605
PNG
(CHEMBL2325904)
Show SMILES C[C@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)O
Show InChI InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287386
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-imidazol-2-yl)-2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1ncc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-13(2)9-14(11-19(27)26-29)21(28)25-18(20-22-7-8-23-20)10-15-12-24-17-6-4-3-5-16(15)17/h3-8,12-14,18,24,29H,9-11H2,1-2H3,(H,22,23)(H,25,28)(H,26,27)/t14-,18+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50287386
PNG
((R)-N*4*-Hydroxy-N*1*-[(S)-1-(1H-imidazol-2-yl)-2-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1ncc[nH]1
Show InChI InChI=1S/C21H27N5O3/c1-13(2)9-14(11-19(27)26-29)21(28)25-18(20-22-7-8-23-20)10-15-12-24-17-6-4-3-5-16(15)17/h3-8,12-14,18,24,29H,9-11H2,1-2H3,(H,22,23)(H,25,28)(H,26,27)/t14-,18+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrilysin, matrix metalloproteinase-7


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50426614
PNG
(CHEMBL2325905)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(C)(C)O
Show InChI InChI=1S/C15H20N4O2/c1-8(15(2,3)21)18-14(20)10-6-16-13-12(10)19-11(7-17-13)9-4-5-9/h6-9,21H,4-5H2,1-3H3,(H,16,17)(H,18,20)/t8-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151775
PNG
(3-(4-Fluoro-phenylsulfanyl)-6-methanesulfonyl-2-me...)
Show SMILES Cc1[nH]c2cc(ccc2c1Sc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO2S2/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50287377
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-3-methyl-1-(...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccc(cc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C21H29F3N4O3/c1-11(2)7-13(9-18(29)28-31)20(30)27-17(8-12(3)4)19-25-15-6-5-14(21(22,23)24)10-16(15)26-19/h5-6,10-13,17,31H,7-9H2,1-4H3,(H,25,26)(H,27,30)(H,28,29)/t13-,17+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426615
PNG
(CHEMBL2325900)
Show SMILES CC(NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C1CC1
Show InChI InChI=1S/C15H18N4O/c1-8(9-2-3-9)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,2-5H2,1H3,(H,16,17)(H,18,20)
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n/an/a 22n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287385
PNG
((R)-N*1*-[1-(1H-Benzoimidazol-2-yl)-2-(1H-indol-3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H29N5O3/c1-15(2)11-16(13-23(31)30-33)25(32)29-22(24-27-20-9-5-6-10-21(20)28-24)12-17-14-26-19-8-4-3-7-18(17)19/h3-10,14-16,22,26,33H,11-13H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t16-,22+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50426603
PNG
(CHEMBL2325912)
Show SMILES C[C@@H](NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C(=O)N1CCC(C1)C#N
Show InChI InChI=1S/C18H20N6O2/c1-10(18(26)24-5-4-11(6-19)9-24)22-17(25)13-7-20-16-15(13)23-14(8-21-16)12-2-3-12/h7-8,10-12H,2-5,9H2,1H3,(H,20,21)(H,22,25)/t10-,11?/m1/s1
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n/an/a 23n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50426615
PNG
(CHEMBL2325900)
Show SMILES CC(NC(=O)c1c[nH]c2ncc(nc12)C1CC1)C1CC1
Show InChI InChI=1S/C15H18N4O/c1-8(9-2-3-9)18-15(20)11-6-16-14-13(11)19-12(7-17-14)10-4-5-10/h6-10H,2-5H2,1H3,(H,16,17)(H,18,20)
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n/an/a 24n/an/an/an/an/an/a



F. 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...


J Med Chem 56: 345-56 (2013)


Article DOI: 10.1021/jm301646k
BindingDB Entry DOI: 10.7270/Q2Q241JX
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50287385
PNG
((R)-N*1*-[1-(1H-Benzoimidazol-2-yl)-2-(1H-indol-3-...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C25H29N5O3/c1-15(2)11-16(13-23(31)30-33)25(32)29-22(24-27-20-9-5-6-10-21(20)28-24)12-17-14-26-19-8-4-3-7-18(17)19/h3-10,14-16,22,26,33H,11-13H2,1-2H3,(H,27,28)(H,29,32)(H,30,31)/t16-,22+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50287378
PNG
((R)-N*1*-[(S)-1-(1H-Benzoimidazol-2-yl)-3-methyl-b...)
Show SMILES CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C20H30N4O3/c1-12(2)9-14(11-18(25)24-27)20(26)23-17(10-13(3)4)19-21-15-7-5-6-8-16(15)22-19/h5-8,12-14,17,27H,9-11H2,1-4H3,(H,21,22)(H,23,26)(H,24,25)/t14-,17+/m1/s1
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n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast collagenase, matrix metalloproteinase-1


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13531
PNG
(4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridy...)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto LLC



Assay Description
Inhibition of human recombinant active p38alpha MAP kinase was tested by measuring the incorporation of 33P from gamma-[33P] ATP into myelin basic pr...


J Med Chem 49: 1562-75 (2006)


Article DOI: 10.1021/jm050736c
BindingDB Entry DOI: 10.7270/Q23776ZN
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50151760
PNG
(3-(4-Fluoro-phenoxy)-6-methanesulfonyl-2-methyl-1H...)
Show SMILES Cc1[nH]c2cc(ccc2c1Oc1ccc(F)cc1)S(C)(=O)=O
Show InChI InChI=1S/C16H14FNO3S/c1-10-16(21-12-5-3-11(17)4-6-12)14-8-7-13(22(2,19)20)9-15(14)18-10/h3-9,18H,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Roche Palo Alto

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against Prostaglandin G/H synthase 2 enzyme activity


Bioorg Med Chem Lett 14: 4741-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.075
BindingDB Entry DOI: 10.7270/Q228072S
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50287380
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-1-(6-methoxy...)
Show SMILES COc1ccc2nc([nH]c2c1)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C21H32N4O4/c1-12(2)8-14(10-19(26)25-28)21(27)24-18(9-13(3)4)20-22-16-7-6-15(29-5)11-17(16)23-20/h6-7,11-14,18,28H,8-10H2,1-5H3,(H,22,23)(H,24,27)(H,25,26)/t14-,18+/m1/s1
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair
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