Found 393 hits with Last Name = 'brissette' and Initial = 'wh' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
KEGG
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CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144428
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
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PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332622
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r| Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144400
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1 | PDB
Reactome pathway
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332622
(CHEMBL1630782 | N-Methyl-N-((1S,2R,5S)-2-methyl-5-...)Show SMILES C[C@@H]1CC[C@@H](C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(C)=C |r| Show InChI InChI=1S/C17H24N4/c1-11(2)13-6-5-12(3)15(9-13)21(4)17-14-7-8-18-16(14)19-10-20-17/h7-8,10,12-13,15H,1,5-6,9H2,2-4H3,(H,18,19,20)/t12-,13+,15+/m1/s1 | PDB
Reactome pathway
KEGG
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B.MOAD
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
KEGG
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CHEMBL
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PC cid
PC sid
PDB
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| PDB
Article
PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144420
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144431
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144428
(CHEMBL66159 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN Show InChI InChI=1S/C26H32FN5O3/c1-26(2,27)13-12-18(24(34)32-28)15-23(33)21(14-17-8-4-3-5-9-17)31-25(35)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,33H,12-15,28H2,1-2H3,(H,31,35)(H,32,34)/t18?,21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144396
(CHEMBL69375 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20-,23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2169-73 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144431
(CHEMBL303673 | Quinoxaline-2-carboxylic acid [(1S,...)Show SMILES ONC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C27H30F2N4O4/c28-27(29)12-10-18(11-13-27)19(25(35)33-37)15-24(34)22(14-17-6-2-1-3-7-17)32-26(36)23-16-30-20-8-4-5-9-21(20)31-23/h1-9,16,18-19,22,24,34,37H,10-15H2,(H,32,36)(H,33,35)/t19?,22-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209006
(1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1NC(=O)NCCN Show InChI InChI=1S/C24H31ClFN5O3/c1-16-13-31(17(2)12-30(16)14-18-3-6-20(26)7-4-18)23(32)15-34-22-8-5-19(25)11-21(22)29-24(33)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H2,28,29,33)/t16-,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144420
(CHEMBL68145 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCCC1 Show InChI InChI=1S/C27H32N4O3/c28-26(33)20(19-11-5-2-6-12-19)16-25(32)23(15-18-9-3-1-4-10-18)31-27(34)24-17-29-21-13-7-8-14-22(21)30-24/h1,3-4,7-10,13-14,17,19-20,23,25,32H,2,5-6,11-12,15-16H2,(H2,28,33)(H,31,34)/t20?,23-,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144417
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209001
(4-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)CCC(O)=O Show InChI InChI=1S/C25H28ClFN2O5/c1-16-13-29(17(2)12-28(16)14-18-3-6-20(27)7-4-18)24(31)15-34-23-9-5-19(26)11-21(23)22(30)8-10-25(32)33/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,32,33)/t16-,17+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144417
(CHEMBL68366 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C26H31FN4O3/c1-26(2,27)13-12-18(24(28)33)15-23(32)21(14-17-8-4-3-5-9-17)31-25(34)22-16-29-19-10-6-7-11-20(19)30-22/h3-11,16,18,21,23,32H,12-15H2,1-2H3,(H2,28,33)(H,31,34)/t18-,21+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332620
(2-Methyl-3-(4-methyl-3-(methyl(7H-pyrrolo[2,3-d]py...)Show SMILES CC(C#N)C(=O)N1CCC(C)C(C1)N(C)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C17H22N6O/c1-11-5-7-23(17(24)12(2)8-18)9-14(11)22(3)16-13-4-6-19-15(13)20-10-21-16/h4,6,10-12,14H,5,7,9H2,1-3H3,(H,19,20,21) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332623
(CHEMBL1630786 | N-Benzyl-2-((R)-2-((1S,3S,4R)-4-me...)Show SMILES C[C@@H](COCC(=O)NCc1ccccc1)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C26H35N5O2/c1-18-9-10-21(13-23(18)31(3)26-22-11-12-27-25(22)29-17-30-26)19(2)15-33-16-24(32)28-14-20-7-5-4-6-8-20/h4-8,11-12,17-19,21,23H,9-10,13-16H2,1-3H3,(H,28,32)(H,27,29,30)/t18-,19+,21+,23+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332604
(CHEMBL1630788 | cis-N-Methyl-N-(4-methyl-1-(2,2,2-...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C15H20F3N5O2S/c1-10-4-6-23(26(24,25)8-15(16,17)18)7-12(10)22(2)14-11-3-5-19-13(11)20-9-21-14/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,19,20,21)/t10-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144412
(CHEMBL69659 | Quinoxaline-2-carboxylic acid [(1S,2...)Show SMILES CC1CC(CC(C)O1)[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C28H34N4O4/c1-17-12-20(13-18(2)36-17)21(27(29)34)15-26(33)24(14-19-8-4-3-5-9-19)32-28(35)25-16-30-22-10-6-7-11-23(22)31-25/h3-11,16-18,20-21,24,26,33H,12-15H2,1-2H3,(H2,29,34)(H,32,35)/t17?,18?,20?,21-,24-,26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2169-73 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332597
(CHEMBL1630801 | cis-3,3,3-Trifluoro-1-(4-methyl-3-...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC(F)(F)F |r| Show InChI InChI=1S/C16H20F3N5O/c1-10-4-6-24(13(25)7-16(17,18)19)8-12(10)23(2)15-11-3-5-20-14(11)21-9-22-15/h3,5,9-10,12H,4,6-8H2,1-2H3,(H,20,21,22)/t10-,12+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332601
(CHEMBL1630800 | cis-2-Cyclopropyl-1-(4-methyl-3-(m...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC1CC1 |r| Show InChI InChI=1S/C18H25N5O/c1-12-6-8-23(16(24)9-13-3-4-13)10-15(12)22(2)18-14-5-7-19-17(14)20-11-21-18/h5,7,11-13,15H,3-4,6,8-10H2,1-2H3,(H,19,20,21)/t12-,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332625
((R)-2-((1S,3S,4R)-4-Methyl-3-(methyl(7H-pyrrolo[2,...)Show SMILES C[C@@H](CO)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H26N4O/c1-11-4-5-13(12(2)9-22)8-15(11)21(3)17-14-6-7-18-16(14)19-10-20-17/h6-7,10-13,15,22H,4-5,8-9H2,1-3H3,(H,18,19,20)/t11-,12+,13+,15+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332624
(CHEMBL1630774 | N-(2,5-Dimethylcyclohexyl)-N-methy...)Show InChI InChI=1S/C15H22N4/c1-10-4-5-11(2)13(8-10)19(3)15-12-6-7-16-14(12)17-9-18-15/h6-7,9-11,13H,4-5,8H2,1-3H3,(H,16,17,18) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Researchand Development
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 |
Science 302: 875-878 (2003)
Article DOI: 10.1126/science.1087061
BindingDB Entry DOI: 10.7270/Q22Z16FK |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144421
(CHEMBL302533 | Quinoxaline-2-carboxylic acid [(1S,...)Show SMILES NC(=O)C(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCC(F)(F)CC1 Show InChI InChI=1S/C27H30F2N4O3/c28-27(29)12-10-18(11-13-27)19(25(30)35)15-24(34)22(14-17-6-2-1-3-7-17)33-26(36)23-16-31-20-8-4-5-9-21(20)32-23/h1-9,16,18-19,22,24,34H,10-15H2,(H2,30,35)(H,33,36)/t19?,22-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144415
(CHEMBL304845 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CNC(=O)[C@H](CCC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 Show InChI InChI=1S/C27H34N4O3/c1-18(2)13-14-20(26(33)28-3)16-25(32)23(15-19-9-5-4-6-10-19)31-27(34)24-17-29-21-11-7-8-12-22(21)30-24/h4-12,17-18,20,23,25,32H,13-16H2,1-3H3,(H,28,33)(H,31,34)/t20-,23+,25+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2169-73 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209003
((2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpipe...)Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1CS(O)(=O)=O Show InChI InChI=1S/C22H26ClFN2O5S/c1-15-11-26(16(2)10-25(15)12-17-3-6-20(24)7-4-17)22(27)13-31-21-8-5-19(23)9-18(21)14-32(28,29)30/h3-9,15-16H,10-14H2,1-2H3,(H,28,29,30)/t15-,16+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144393
(CHEMBL69274 | Quinoxaline-2-carboxylic acid ((1S,2...)Show SMILES NC(=O)[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C1CCCC1 Show InChI InChI=1S/C26H30N4O3/c27-25(32)19(18-10-4-5-11-18)15-24(31)22(14-17-8-2-1-3-9-17)30-26(33)23-16-28-20-12-6-7-13-21(20)29-23/h1-3,6-9,12-13,16,18-19,22,24,31H,4-5,10-11,14-15H2,(H2,27,32)(H,30,33)/t19-,22-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2169-73 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332593
(CHEMBL1630789 | cis-4-Methyl-3-(methyl(7H-pyrrolo[...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)Nc1cc(C)ns1 |r| Show InChI InChI=1S/C18H23N7OS/c1-11-5-7-25(18(26)22-15-8-12(2)23-27-15)9-14(11)24(3)17-13-4-6-19-16(13)20-10-21-17/h4,6,8,10-11,14H,5,7,9H2,1-3H3,(H,22,26)(H,19,20,21)/t11-,14+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144419
(CHEMBL305423 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C26H31FN4O4/c1-26(2,27)13-12-18(24(33)31-35)15-23(32)21(14-17-8-4-3-5-9-17)30-25(34)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,32,35H,12-15H2,1-2H3,(H,30,34)(H,31,33)/t18?,21-,23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144400
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2169-73 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.021
BindingDB Entry DOI: 10.7270/Q2833RGN |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144400
(CHEMBL304358 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CC(C)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(N)=O Show InChI InChI=1S/C26H32N4O3/c1-17(2)12-13-19(25(27)32)15-24(31)22(14-18-8-4-3-5-9-18)30-26(33)23-16-28-20-10-6-7-11-21(20)29-23/h3-11,16-17,19,22,24,31H,12-15H2,1-2H3,(H2,27,32)(H,30,33)/t19-,22+,24+/m1/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 binding to C-C chemokine receptor type 1 |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332598
(3-(4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4...)Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCC(=O)C1 Show InChI InChI=1S/C19H25N5O2/c1-12-6-8-24(19(26)13-3-4-14(25)9-13)10-16(12)23(2)18-15-5-7-20-17(15)21-11-22-18/h5,7,11-13,16H,3-4,6,8-10H2,1-2H3,(H,20,21,22) | PDB
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209000
(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiper...)Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)NCCN Show InChI InChI=1S/C24H30ClFN4O3/c1-16-13-30(17(2)12-29(16)14-18-3-6-20(26)7-4-18)23(31)15-33-22-8-5-19(25)11-21(22)24(32)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H,28,32)/t16-,17+/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50208999
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1 | PDB
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50144419
(CHEMBL305423 | Quinoxaline-2-carboxylic acid ((1S,...)Show SMILES CC(C)(F)CCC(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C26H31FN4O4/c1-26(2,27)13-12-18(24(33)31-35)15-23(32)21(14-17-8-4-3-5-9-17)30-25(34)22-16-28-19-10-6-7-11-20(19)29-22/h3-11,16,18,21,23,32,35H,12-15H2,1-2H3,(H,30,34)(H,31,33)/t18?,21-,23-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of CCL3 induced chemotaxis in human T lymphocytes |
Bioorg Med Chem Lett 14: 2175-9 (2004)
Article DOI: 10.1016/j.bmcl.2004.02.022
BindingDB Entry DOI: 10.7270/Q24B30SR |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332592
(CHEMBL1630791 | D3RKN_90 | cis-2-Hydroxy-1-(4-meth...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CO |r| Show InChI InChI=1S/C15H21N5O2/c1-10-4-6-20(13(22)8-21)7-12(10)19(2)15-11-3-5-16-14(11)17-9-18-15/h3,5,9-10,12,21H,4,6-8H2,1-2H3,(H,16,17,18)/t10-,12+/m1/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332626
(CHEMBL1630784 | N,N-Diethyl-2-((R)-2-((1S,3S,4R)-4...)Show SMILES CCN(CC)C(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C23H37N5O2/c1-6-28(7-2)21(29)14-30-13-17(4)18-9-8-16(3)20(12-18)27(5)23-19-10-11-24-22(19)25-15-26-23/h10-11,15-18,20H,6-9,12-14H2,1-5H3,(H,24,25,26)/t16-,17+,18+,20+/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50193995
(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 |r| 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 | PDB
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PDB
Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Tyk2 by solution phase kinase assay |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209004
(2-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpi...)Show SMILES C[C@H]1CN([C@H](C)CN1Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1CC(O)=O Show InChI InChI=1S/C23H26ClFN2O4/c1-15-12-27(16(2)11-26(15)13-17-3-6-20(25)7-4-17)22(28)14-31-21-8-5-19(24)9-18(21)10-23(29)30/h3-9,15-16H,10-14H2,1-2H3,(H,29,30)/t15-,16+/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332627
(CHEMBL1630785 | N-Methyl-2-((R)-2-((1S,3S,4R)-4-me...)Show SMILES CNC(=O)COC[C@H](C)[C@H]1CC[C@@H](C)[C@H](C1)N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H31N5O2/c1-13-5-6-15(14(2)10-27-11-18(26)21-3)9-17(13)25(4)20-16-7-8-22-19(16)23-12-24-20/h7-8,12-15,17H,5-6,9-11H2,1-4H3,(H,21,26)(H,22,23,24)/t13-,14+,15+,17+/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332628
(CHEMBL1630798 | cis-Cyclopentyl(4-methyl-3-(methyl...)Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCCC1 |r| Show InChI InChI=1S/C19H27N5O/c1-13-8-10-24(19(25)14-5-3-4-6-14)11-16(13)23(2)18-15-7-9-20-17(15)21-12-22-18/h7,9,12-14,16H,3-6,8,10-11H2,1-2H3,(H,20,21,22)/t13-,16+/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332611
((4-Methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-y...)Show SMILES CC1CCN(CC1N(C)c1ncnc2[nH]ccc12)C(=O)C1CCOC1 Show InChI InChI=1S/C18H25N5O2/c1-12-4-7-23(18(24)13-5-8-25-10-13)9-15(12)22(2)17-14-3-6-19-16(14)20-11-21-17/h3,6,11-13,15H,4-5,7-10H2,1-2H3,(H,19,20,21) | PDB
Reactome pathway
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PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50332596
(CHEMBL1630790 | cis-N-(1-(2,3-Difluorobenzyl)-4-me...)Show SMILES C[C@@H]1CCN(Cc2cccc(F)c2F)C[C@@H]1N(C)c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C20H23F2N5/c1-13-7-9-27(10-14-4-3-5-16(21)18(14)22)11-17(13)26(2)20-15-6-8-23-19(15)24-12-25-20/h3-6,8,12-13,17H,7,9-11H2,1-2H3,(H,23,24,25)/t13-,17+/m1/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50273930
(3-((3S,4S)-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 |r| 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+/m0/s1 | PDB
Reactome pathway
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CHEMBL
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PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged human JAK3 catalytic domain expressed in Sf9 cells by ELISA |
J Med Chem 53: 8468-84 (2010)
Article DOI: 10.1021/jm1004286
BindingDB Entry DOI: 10.7270/Q2154H9D |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50209002
(CHEMBL391239 | methyl 2-(2-(2-((2R,5S)-4-(4-fluoro...)Show SMILES COS(=O)(=O)NC(=O)Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C Show InChI InChI=1S/C24H29ClFN3O6S/c1-16-13-29(17(2)12-28(16)14-18-4-7-21(26)8-5-18)24(31)15-35-22-9-6-20(25)10-19(22)11-23(30)27-36(32,33)34-3/h4-10,16-17H,11-15H2,1-3H3,(H,27,30)/t16-,17+/m0/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding Affinity at CCL3 |
Bioorg Med Chem Lett 17: 3109-12 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.037
BindingDB Entry DOI: 10.7270/Q2CF9PSH |
More data for this
Ligand-Target Pair | |
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