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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'wyman' and Initial = 'b'   
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
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149871
PNG
((R)-2-((3-(biphenyl-4-yloxy)-3-(4-fluorophenyl)pro...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)-c1ccccc1)c1ccc(F)cc1)CC(O)=O |r|
Show InChI InChI=1S/C24H24FNO3/c1-26(17-24(27)28)16-15-23(20-7-11-21(25)12-8-20)29-22-13-9-19(10-14-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,27,28)/t23-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132421
PNG
(3-[1-(1H-Pyrrol-2-yl)-meth-(Z)-ylidene]-5-(thiophe...)
Show SMILES O=C(c1cccs1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C18H12N2O2S/c21-17(16-4-2-8-23-16)11-5-6-15-13(9-11)14(18(22)20-15)10-12-3-1-7-19-12/h1-10,19H,(H,20,22)/b14-10-
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n/an/a 26n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132420
PNG
(3-((1H-pyrrol-2-yl)methylene)-5-(pyridin-3-yl)indo...)
Show SMILES O=C1Nc2ccc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C18H13N3O/c22-18-16(10-14-4-2-8-20-14)15-9-12(5-6-17(15)21-18)13-3-1-7-19-11-13/h1-11,20H,(H,21,22)/b16-10-
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n/an/a 27n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132427
PNG
(5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylid...)
Show SMILES O=C1Nc2cnc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H12N4O/c22-17-14(7-12-4-2-6-19-12)13-8-15(20-10-16(13)21-17)11-3-1-5-18-9-11/h1-10,19H,(H,21,22)/b14-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149875
PNG
(CHEMBL361022 | {(R)-4-[5-Chloro-2-(4-methoxy-pheny...)
Show SMILES COc1ccc(Sc2ccc(Cl)cc2N2CCN(CC(O)=O)[C@H](C)C2)cc1
Show InChI InChI=1S/C20H23ClN2O3S/c1-14-12-23(10-9-22(14)13-20(24)25)18-11-15(21)3-8-19(18)27-17-6-4-16(26-2)5-7-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,24,25)/t14-/m1/s1
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149873
PNG
(CHEMBL182162 | {(2R,5S)-4-[2-(4-Methoxy-phenylsulf...)
Show SMILES COc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(O)=O)C[C@@H]2C)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-6-4-5-7-20(19)27-18-10-8-17(26-3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)/t15-,16+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132422
PNG
(5-(Pyridine-3-carbonyl)-3-[1-(1H-pyrrol-2-yl)-meth...)
Show SMILES O=C(c1cccnc1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C19H13N3O2/c23-18(13-3-1-7-20-11-13)12-5-6-17-15(9-12)16(19(24)22-17)10-14-4-2-8-21-14/h1-11,21H,(H,22,24)/b16-10-
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n/an/a 168n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132428
PNG
(5-(Hydroxy-thiophen-2-yl-methyl)-3-[1-(1H-pyrrol-2...)
Show SMILES OC(c1cccs1)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C18H14N2O2S/c21-17(16-4-2-8-23-16)11-5-6-15-13(9-11)14(18(22)20-15)10-12-3-1-7-19-12/h1-10,17,19,21H,(H,20,22)/b14-10-
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n/an/a 190n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132417
PNG
(3-[1-(4-Dimethylamino-phenyl)-meth-(Z)-ylidene]-5-...)
Show SMILES CN(C)c1ccc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C22H18N2O2S/c1-24(2)16-8-5-14(6-9-16)12-18-17-13-15(7-10-19(17)23-22(18)26)21(25)20-4-3-11-27-20/h3-13H,1-2H3,(H,23,26)/b18-12-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132423
PNG
(2-Oxo-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylidene]-2,3-...)
Show SMILES CN(C)C(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C16H15N3O2/c1-19(2)16(21)10-5-6-14-12(8-10)13(15(20)18-14)9-11-4-3-7-17-11/h3-9,17H,1-2H3,(H,18,20)/b13-9-
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n/an/a 210n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17032
PNG
((3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihyd...)
Show SMILES OC(=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C14H10N2O3/c17-13-11(7-9-2-1-5-15-9)10-6-8(14(18)19)3-4-12(10)16-13/h1-7,15H,(H,16,17)(H,18,19)/b11-7-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132419
PNG
(5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylid...)
Show SMILES O=C1Nc2ccc(nc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H12N4O/c22-17-13(9-12-4-2-8-19-12)16-15(21-17)6-5-14(20-16)11-3-1-7-18-10-11/h1-10,19H,(H,21,22)/b13-9-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132424
PNG
(3-[2-Oxo-2-(1H-pyrrol-2-yl)-eth-(Z)-ylidene]-5-(th...)
Show SMILES O=C(\C=C1/C(=O)Nc2ccc(cc12)C(=O)c1cccs1)c1ccc[nH]1
Show InChI InChI=1S/C19H12N2O3S/c22-16(15-3-1-7-20-15)10-13-12-9-11(5-6-14(12)21-19(13)24)18(23)17-4-2-8-25-17/h1-10,20H,(H,21,24)/b13-10-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149865
PNG
(CHEMBL181805 | {4-[5-Chloro-2-(4-methoxy-phenylsul...)
Show SMILES COc1ccc(Sc2ccc(Cl)cc2N2CCN(CC(O)=O)C(C)C2)cc1
Show InChI InChI=1S/C20H23ClN2O3S/c1-14-12-23(10-9-22(14)13-20(24)25)18-11-15(21)3-8-19(18)27-17-6-4-16(26-2)5-7-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,24,25)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149856
PNG
(CHEMBL360052 | {Methyl-[(R)-3-phenyl-3-(4-trifluor...)
Show SMILES CN(CC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1)CC(O)=O
Show InChI InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132418
PNG
(5-Pyridin-3-yl-3-[1-(1H-pyrrol-2-yl)-meth-(Z)-ylid...)
Show SMILES O=C1Nc2ncc(cc2\C1=C\c1ccc[nH]1)-c1cccnc1
Show InChI InChI=1S/C17H12N4O/c22-17-15(8-13-4-2-6-19-13)14-7-12(10-20-16(14)21-17)11-3-1-5-18-9-11/h1-10,19H,(H,20,21,22)/b15-8-
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Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149866
PNG
(CHEMBL181643 | {4-[2-(4-Chloro-phenylsulfanyl)-phe...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(Cl)cc1
Show InChI InChI=1S/C20H23ClN2O2S/c1-14-12-23(15(2)11-22(14)13-20(24)25)18-5-3-4-6-19(18)26-17-9-7-16(21)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149862
PNG
(CHEMBL182521 | [2,5-Dimethyl-4-(2-p-tolylsulfanyl-...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(C)cc1
Show InChI InChI=1S/C21H26N2O2S/c1-15-8-10-18(11-9-15)26-20-7-5-4-6-19(20)23-13-16(2)22(12-17(23)3)14-21(24)25/h4-11,16-17H,12-14H2,1-3H3,(H,24,25)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149859
PNG
(CHEMBL182666 | {4-[2-(4-Methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccccc2N2CC(C)N(CC(O)=O)CC2C)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-6-4-5-7-20(19)27-18-10-8-17(26-3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132426
PNG
(CHEMBL104062 | N-{4-[2-Oxo-5-(thiophene-2-carbonyl...)
Show SMILES CC(=O)Nc1ccc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C22H16N2O3S/c1-13(25)23-16-7-4-14(5-8-16)11-18-17-12-15(6-9-19(17)24-22(18)27)21(26)20-3-2-10-28-20/h2-12H,1H3,(H,23,25)(H,24,27)/b18-11-
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n/an/a 700n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50065287
PNG
(5-Nitro-3-(1H-pyrrol-2-ylmethylene)-1,3-dihydro-in...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1
Show InChI InChI=1S/C13H9N3O3/c17-13-11(6-8-2-1-5-14-8)10-7-9(16(18)19)3-4-12(10)15-13/h1-7,14H,(H,15,17)/b11-6-
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n/an/a 710n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132429
PNG
(CHEMBL104409 | N-{2-Oxo-3-[1-(1H-pyrrol-2-yl)-meth...)
Show SMILES O=C(Nc1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)c1ccccc1
Show InChI InChI=1S/C20H15N3O2/c24-19(13-5-2-1-3-6-13)22-15-8-9-18-16(12-15)17(20(25)23-18)11-14-7-4-10-21-14/h1-12,21H,(H,22,24)(H,23,25)/b17-11-
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n/an/a 870n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17015
PNG
((3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-...)
Show SMILES O=C1Nc2ccccc2\C1=C\c1ccc[nH]1
Show InChI InChI=1S/C13H10N2O/c16-13-11(8-9-4-3-7-14-9)10-5-1-2-6-12(10)15-13/h1-8,14H,(H,15,16)/b11-8-
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n/an/a 900n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149872
PNG
(CHEMBL182015 | {4-[2-(Biphenyl-4-ylsulfanyl)-pheny...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H28N2O2S/c1-19-17-28(20(2)16-27(19)18-26(29)30)24-10-6-7-11-25(24)31-23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,19-20H,16-18H2,1-2H3,(H,29,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149868
PNG
(CHEMBL183030 | {(S)-4-[5-Chloro-2-(4-methoxy-pheny...)
Show SMILES COc1ccc(Sc2ccc(Cl)cc2N2CCN(CC(O)=O)[C@@H](C)C2)cc1
Show InChI InChI=1S/C20H23ClN2O3S/c1-14-12-23(10-9-22(14)13-20(24)25)18-11-15(21)3-8-19(18)27-17-6-4-16(26-2)5-7-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,24,25)/t14-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149853
PNG
(CHEMBL181596 | {4-[2-(4-Methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccccc2N2CCN(CC(O)=O)C(C)(C)C2)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-21(2)15-22(12-13-23(21)14-20(24)25)18-6-4-5-7-19(18)27-17-10-8-16(26-3)9-11-17/h4-11H,12-15H2,1-3H3,(H,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149860
PNG
(CHEMBL360501 | {4-[2-(4-Methoxy-phenylsulfanyl)-5-...)
Show SMILES COc1ccc(Sc2ccc(C)cc2N2CCN(CC(O)=O)C(C)C2)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-4-9-20(27-18-7-5-17(26-3)6-8-18)19(12-15)23-11-10-22(14-21(24)25)16(2)13-23/h4-9,12,16H,10-11,13-14H2,1-3H3,(H,24,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149877
PNG
(CHEMBL365268 | {4-[2-(4-Methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccccc2N2CCN(CC(O)=O)C(C)C2)cc1
Show InChI InChI=1S/C20H24N2O3S/c1-15-13-22(12-11-21(15)14-20(23)24)18-5-3-4-6-19(18)26-17-9-7-16(25-2)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24)
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n/an/a 1.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149876
PNG
(CHEMBL184785 | {4-[5-Chloro-2-(4-methoxy-phenylsul...)
Show SMILES COc1ccc(Sc2ccc(Cl)cc2N2CC(C)N(CC(O)=O)CC2C)cc1
Show InChI InChI=1S/C21H25ClN2O3S/c1-14-12-24(15(2)11-23(14)13-21(25)26)19-10-16(22)4-9-20(19)28-18-7-5-17(27-3)6-8-18/h4-10,14-15H,11-13H2,1-3H3,(H,25,26)
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n/an/a 1.70E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149861
PNG
(CHEMBL182949 | {4-[2-(4-Fluoro-phenylsulfanyl)-phe...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O2S/c1-14-12-23(15(2)11-22(14)13-20(24)25)18-5-3-4-6-19(18)26-17-9-7-16(21)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25)
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n/an/a 1.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132431
PNG
(3-[1-Phenyl-meth-(Z)-ylidene]-5-(thiophene-2-carbo...)
Show SMILES O=C(c1cccs1)c1ccc2NC(=O)\C(=C/c3ccccc3)c2c1
Show InChI InChI=1S/C20H13NO2S/c22-19(18-7-4-10-24-18)14-8-9-17-15(12-14)16(20(23)21-17)11-13-5-2-1-3-6-13/h1-12H,(H,21,23)/b16-11-
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n/an/a 2.30E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149874
PNG
(CHEMBL363928 | [2,5-Dimethyl-4-(2-phenylsulfanyl-p...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccccc1
Show InChI InChI=1S/C20H24N2O2S/c1-15-13-22(16(2)12-21(15)14-20(23)24)18-10-6-7-11-19(18)25-17-8-4-3-5-9-17/h3-11,15-16H,12-14H2,1-2H3,(H,23,24)
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n/an/a 2.90E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149864
PNG
(CHEMBL181698 | {4-[2-(4-Hydroxy-phenylsulfanyl)-ph...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(O)cc1
Show InChI InChI=1S/C20H24N2O3S/c1-14-12-22(15(2)11-21(14)13-20(24)25)18-5-3-4-6-19(18)26-17-9-7-16(23)8-10-17/h3-10,14-15,23H,11-13H2,1-2H3,(H,24,25)
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n/an/a 3.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149863
PNG
(CHEMBL183508 | {4-[5-Methoxy-2-(4-methoxy-phenylsu...)
Show SMILES COc1ccc(Sc2ccc(OC)cc2N2CCN(CC(O)=O)C(C)C2)cc1
Show InChI InChI=1S/C21H26N2O4S/c1-15-13-23(11-10-22(15)14-21(24)25)19-12-17(27-3)6-9-20(19)28-18-7-4-16(26-2)5-8-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,24,25)
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n/an/a 4.60E+3n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132425
PNG
(3-[1-(4-Fluoro-phenyl)-meth-(Z)-ylidene]-5-(thioph...)
Show SMILES Fc1ccc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C20H12FNO2S/c21-14-6-3-12(4-7-14)10-16-15-11-13(5-8-17(15)22-20(16)24)19(23)18-2-1-9-25-18/h1-11H,(H,22,24)/b16-10-
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n/an/a 4.90E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50132430
PNG
(3-[1-(4-Methanesulfonyl-phenyl)-meth-(Z)-ylidene]-...)
Show SMILES CS(=O)(=O)c1ccc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2cccs2)cc1
Show InChI InChI=1S/C21H15NO4S2/c1-28(25,26)15-7-4-13(5-8-15)11-17-16-12-14(6-9-18(16)22-21(17)24)20(23)19-3-2-10-27-19/h2-12H,1H3,(H,22,24)/b17-11-
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n/an/a 7.10E+3n/an/an/an/an/an/a



Aventis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against Janus Kinase 3 protein tyrosine kinase.


Bioorg Med Chem Lett 13: 3105-10 (2003)


BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149854
PNG
(CHEMBL180202 | {4-[2-(4-Methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccccc2N2CCN(CC(O)=O)CC2C)cc1
Show InChI InChI=1S/C20H24N2O3S/c1-15-13-21(14-20(23)24)11-12-22(15)18-5-3-4-6-19(18)26-17-9-7-16(25-2)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149858
PNG
(CHEMBL184996 | {4-[2-(4-Methoxy-phenylsulfanyl)-ph...)
Show SMILES COc1ccc(Sc2ccccc2N2CCN(CC(O)=O)CC2)cc1
Show InChI InChI=1S/C19H22N2O3S/c1-24-15-6-8-16(9-7-15)25-18-5-3-2-4-17(18)21-12-10-20(11-13-21)14-19(22)23/h2-9H,10-14H2,1H3,(H,22,23)
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149870
PNG
(CHEMBL360768 | {(2R,5R)-4-[2-(4-Methoxy-phenylsulf...)
Show SMILES COc1ccc(Sc2ccccc2N2C[C@@H](C)N(CC(O)=O)C[C@H]2C)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-6-4-5-7-20(19)27-18-10-8-17(26-3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)/t15-,16-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149869
PNG
(CHEMBL182917 | {(2S,5S)-4-[2-(4-Methoxy-phenylsulf...)
Show SMILES COc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(O)=O)C[C@@H]2C)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-6-4-5-7-20(19)27-18-10-8-17(26-3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)/t15-,16-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149857
PNG
(CHEMBL181745 | {4-[2-(4-Acetylamino-phenylsulfanyl...)
Show SMILES CC1CN(C(C)CN1CC(O)=O)c1ccccc1Sc1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C22H27N3O3S/c1-15-13-25(16(2)12-24(15)14-22(27)28)20-6-4-5-7-21(20)29-19-10-8-18(9-11-19)23-17(3)26/h4-11,15-16H,12-14H2,1-3H3,(H,23,26)(H,27,28)
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n/an/a 2.20E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149867
PNG
(CHEMBL182618 | {4-[5-Methoxy-2-(4-methoxy-phenylsu...)
Show SMILES COc1ccc(Sc2ccc(OC)cc2N2CC(C)N(CC(O)=O)CC2C)cc1
Show InChI InChI=1S/C22H28N2O4S/c1-15-13-24(16(2)12-23(15)14-22(25)26)20-11-18(28-4)7-10-21(20)29-19-8-5-17(27-3)6-9-19/h5-11,15-16H,12-14H2,1-4H3,(H,25,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair
Sodium- and chloride-dependent glycine transporter 1


(Homo sapiens (Human))
BDBM50149855
PNG
(CHEMBL182916 | {(2S,5R)-4-[2-(4-Methoxy-phenylsulf...)
Show SMILES COc1ccc(Sc2ccccc2N2C[C@H](C)N(CC(O)=O)C[C@H]2C)cc1
Show InChI InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-6-4-5-7-20(19)27-18-10-8-17(26-3)9-11-18/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)/t15-,16+/m0/s1
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n/an/a 5.30E+4n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Inhibition of uptake of [3H]-glycine into cells transfected with human GlyT-1b transporter


Bioorg Med Chem Lett 14: 4027-30 (2004)

Checked by Author
Article DOI: 10.1016/j.bmcl.2004.05.043
BindingDB Entry DOI: 10.7270/Q2DV1JBF
More data for this
Ligand-Target Pair