BindingDB logo
myBDB logout

PubMed code 12941344

Compile data set for download or QSAR
Found 18 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))
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 213n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 235n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 350n/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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
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-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


Article DOI: 10.1016/s0960-894x(03)00657-7
BindingDB Entry DOI: 10.7270/Q2833RDR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%