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PubMed code 19427203

Compile data set for download or QSAR
Found 28 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295811
PNG
(12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...)
Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295819
PNG
(12,13-(2,3-cis-dihydroxy-butan-1,4-yl)-12,13-dihyd...)
Show SMILES O[C@H]1Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H17N3O4/c28-15-9-26-13-7-3-1-5-11(13)17-19-20(24(31)25-23(19)30)18-12-6-2-4-8-14(12)27(10-16(15)29)22(18)21(17)26/h1-8,15-16,28-29H,9-10H2,(H,25,30,31)/t15-,16+
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n/an/a 3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295821
PNG
(12,13-(2-hydroxy-butan-1,4-yl)-12,13-dihydro-5,7-d...)
Show SMILES OC1CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23
Show InChI InChI=1S/C24H17N3O3/c28-12-9-10-26-15-7-3-1-5-13(15)17-19-20(24(30)25-23(19)29)18-14-6-2-4-8-16(14)27(11-12)22(18)21(17)26/h1-8,12,28H,9-11H2,(H,25,29,30)
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295810
PNG
(12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...)
Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295820
PNG
(12,13-(2-hydroxy-pentan-1,5-yl)-12,13-dihydro-5,7-...)
Show SMILES OC1CCCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23
Show InChI InChI=1S/C25H19N3O3/c29-13-6-5-11-27-16-9-3-1-7-14(16)18-20-21(25(31)26-24(20)30)19-15-8-2-4-10-17(15)28(12-13)23(19)22(18)27/h1-4,7-10,13,29H,5-6,11-12H2,(H,26,30,31)
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295817
PNG
(12,13-[2-carboxy-cis-2,3-dihydroxy-1,4-butyl]-6,7,...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@@]1(O)C(O)=O)c4c23 |r|
Show InChI InChI=1S/C25H17N3O6/c29-15-9-27-13-7-3-1-5-11(13)16-18-19(23(31)26-22(18)30)17-12-6-2-4-8-14(12)28(21(17)20(16)27)10-25(15,34)24(32)33/h1-8,15,29,34H,9-10H2,(H,32,33)(H,26,30,31)/t15-,25+/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295818
PNG
(12,13-(2,3-cis-dihydroxy-pentan-1,5-yl)-12,13-dihy...)
Show SMILES O[C@H]1CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C25H19N3O4/c29-16-9-10-27-14-7-3-1-5-12(14)18-20-21(25(32)26-24(20)31)19-13-6-2-4-8-15(13)28(11-17(16)30)23(19)22(18)27/h1-8,16-17,29-30H,9-11H2,(H,26,31,32)/t16-,17+/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295812
PNG
(12,13-(3,4-Cis-dihyroxy-1,6-hexyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1CCn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(CC[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H23N3O3/c30-19-9-11-28-17-7-3-1-5-14(17)21-16-13-27-26(32)23(16)22-15-6-2-4-8-18(15)29(12-10-20(19)31)25(22)24(21)28/h1-8,19-20,30-31H,9-13H2,(H,27,32)/t19-,20+/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295816
PNG
((16S,17R)-16-{[3-(dimethylamino)pyrrolidin-1-yl]ca...)
Show SMILES CN(C)C1CCN(C1)C(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C31H29N5O5/c1-33(2)16-11-12-34(13-16)30(40)31(41)15-36-20-10-6-4-8-18(20)23-25-24(28(38)32-29(25)39)22-17-7-3-5-9-19(17)35(14-21(31)37)26(22)27(23)36/h3-10,16,21,37,41H,11-15H2,1-2H3,(H,32,38,39)/t16?,21-,31+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295813
PNG
(12,13-(1,6-hex-cis-3-enyl)-6,7,12,13-tetrahydro-5-...)
Show SMILES O=C1NCc2c1c1c3ccccc3n3CC\C=C/CCn4c5ccccc5c2c4c13 |c:18|
Show InChI InChI=1S/C26H21N3O/c30-26-23-18(15-27-26)21-16-9-3-5-11-19(16)28-13-7-1-2-8-14-29-20-12-6-4-10-17(20)22(23)25(29)24(21)28/h1-6,9-12H,7-8,13-15H2,(H,27,30)/b2-1-
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n/an/a 39n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295814
PNG
(12,13-(1,4-but-cis-2-enyl)-6,7,12,13-tetrahydro-5-...)
Show SMILES O=C1NCc2c1c1c3ccccc3n3C\C=C/Cn4c5ccccc5c2c4c13 |c:17|
Show InChI InChI=1S/C24H17N3O/c28-24-21-16(13-25-24)19-14-7-1-3-9-17(14)26-11-5-6-12-27-18-10-4-2-8-15(18)20(21)23(27)22(19)26/h1-10H,11-13H2,(H,25,28)/b6-5-
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n/an/a 39n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 61n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of Zap70-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))		BDBM50295815
PNG
(12,13-diallyl-6,7,12,13-tetrahydro-5-oxo-5H-indolo...)
Show SMILES C=CCn1c2ccccc2c2c3CNC(=O)c3c3c4ccccc4n(CC=C)c3c12
Show InChI InChI=1S/C26H21N3O/c1-3-13-28-19-11-7-5-9-16(19)21-18-15-27-26(30)23(18)22-17-10-6-8-12-20(17)29(14-4-2)25(22)24(21)28/h3-12H,1-2,13-15H2,(H,27,30)
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n/an/a>200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of JAK3 expressed in insect Sf21 cells assessed as inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50295811
PNG
(12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...)
Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of LCK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of SYK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50295810
PNG
(12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...)
Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)
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n/an/a 540n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Signal transducer and activator of transcription 5A


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a 689n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of STAT5 phosphorylation in IL2-stimulated healthy human T cells by western blotting

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50295811
PNG
(12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...)
Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of SYK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of LCK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))		BDBM50295810
PNG
(12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...)
Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)
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Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of LCK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))		BDBM50295810
PNG
(12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...)
Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)
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Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of SYK-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))		BDBM50295810
PNG
(12,13-[2-carbomethoxy-1,4-but-cis-2-enyl]-6,7,12,1...)
Show SMILES CC(=O)C1=CCn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C1)c4c23 |w:4.4|
Show InChI InChI=1S/C26H17N3O3/c1-13(30)14-10-11-28-17-8-4-2-6-15(17)19-21-22(26(32)27-25(21)31)20-16-7-3-5-9-18(16)29(12-14)24(20)23(19)28/h2-10H,11-12H2,1H3,(H,27,31,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of Zap70-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ZAP-70


(Homo sapiens (Human))		BDBM50295811
PNG
(12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...)
Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of Zap70-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50295811
PNG
(12,13-[2-carboxymethyl-cis-2,3-dihydroxy)-1,4-buty...)
Show SMILES COC(=O)[C@]1(O)Cn2c3ccccc3c3c4C(=O)NC(=O)c4c4c5ccccc5n(C[C@H]1O)c4c23 |r|
Show InChI InChI=1S/C26H19N3O6/c1-35-25(33)26(34)11-29-15-9-5-3-7-13(15)18-20-19(23(31)27-24(20)32)17-12-6-2-4-8-14(12)28(10-16(26)30)21(17)22(18)29/h2-9,16,30,34H,10-11H2,1H3,(H,27,31,32)/t16-,26+/m1/s1
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Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))		BDBM50295809
PNG
(12,13-(2,3-Cis-dihyroxy-1,4-butyl)-6,7,12,13-tetra...)
Show SMILES O[C@@H]1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C[C@@H]1O)c4c23 |r|
Show InChI InChI=1S/C24H19N3O3/c28-17-10-26-15-7-3-1-5-12(15)19-14-9-25-24(30)21(14)20-13-6-2-4-8-16(13)27(11-18(17)29)23(20)22(19)26/h1-8,17-18,28-29H,9-11H2,(H,25,30)/t17-,18+/m1/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202

Curated by ChEMBL


Assay Description
Inhibition of MK2-mediated inhibition of biotinylated substrate phosphorylation

Bioorg Med Chem Lett 19: 3333-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.039
BindingDB Entry DOI: 10.7270/Q2ZK5GQ8
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
* indicates data uncertainty>20%