Found 5332 hits with Last Name = 'perry' and Initial = 'b' 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 |
|---|
Replicase polyprotein 1ab
(2019-nCoV) | BDBM420298
(CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...)Show SMILES COc1cccc2[nH]c(cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)CO Show InChI InChI=1S/C24H32N4O6/c1-13(2)9-18(23(32)27-17(20(30)12-29)10-14-7-8-25-22(14)31)28-24(33)19-11-15-16(26-19)5-4-6-21(15)34-3/h4-6,11,13-14,17-18,26,29H,7-10,12H2,1-3H3,(H,25,31)(H,27,32)(H,28,33)/t14-,17-,18-/m0/s1 | PDB
MMDB
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| | n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
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| 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
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| 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 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
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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) |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM50097721
(CHEMBL1879790 | EN300-11843)Show InChI InChI=1S/C29H38FN5O3S/c1-4-6-7-8-9-10-15-33(3)26(36)20-35-19-24(16-23-17-31-28(38)34(5-2)18-23)27(37)32-29(35)39-21-22-11-13-25(30)14-12-22/h11-14,17-19H,4-10,15-16,20-21H2,1-3H3 | PDB
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| | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
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
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| 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 | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243737
((S)-2-(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-e...)Show SMILES CC(C)SC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:4| Show InChI InChI=1S/C32H33N5O3S/c1-20(2)41-26-27(32(28(26)38)14-4-3-5-15-32)35-25(31(39)40)18-21-10-12-23(13-11-21)37-29(22-8-6-16-33-19-22)36-24-9-7-17-34-30(24)37/h6-13,16-17,19-20,25,35H,3-5,14-15,18H2,1-2H3,(H,39,40)/t25-/m0/s1 | PDB
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UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243738
((S)-2-(2-Methylsulfanyl-3-oxo-spiro[3.5]non-1-en-1...)Show SMILES CSC1=C(N[C@@H](Cc2ccc(cc2)-n2c(nc3cccnc23)-c2cccnc2)C(O)=O)C2(CCCCC2)C1=O |r,c:2| Show InChI InChI=1S/C30H29N5O3S/c1-39-24-25(30(26(24)36)13-3-2-4-14-30)33-23(29(37)38)17-19-9-11-21(12-10-19)35-27(20-7-5-15-31-18-20)34-22-8-6-16-32-28(22)35/h5-12,15-16,18,23,33H,2-4,13-14,17H2,1H3,(H,37,38)/t23-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243822
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1(CC1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C28H26BrF3N4O3/c29-20-21(26(22(20)37)10-2-1-3-11-26)34-19(24(38)39)15-16-6-8-17(9-7-16)36-23-18(5-4-14-33-23)35-25(36)27(12-13-27)28(30,31)32/h4-9,14,19,34H,1-3,10-13,15H2,(H,38,39)/t19-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Replicase polyprotein 1ab
(2019-nCoV) | BDBM496902
(CVD-0018409 | PF-07321332 | US11351149, Example 13...)Show SMILES CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]1CCNC1=O)C#N)C2(C)C Show InChI InChI=1S/C23H32F3N5O4/c1-21(2,3)16(30-20(35)23(24,25)26)19(34)31-10-13-14(22(13,4)5)15(31)18(33)29-12(9-27)8-11-6-7-28-17(11)32/h11-16H,6-8,10H2,1-5H3,(H,28,32)(H,29,33)(H,30,35)/t11-,12-,13-,14-,15-,16+/m0/s1 | PDB
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| | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243759
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-27(2,3)26-32-19-8-7-15-30-24(19)33(26)18-11-9-17(10-12-18)16-20(25(35)36)31-22-21(29)23(34)28(22)13-5-4-6-14-28/h7-12,15,20,31H,4-6,13-14,16H2,1-3H3,(H,35,36)/t20-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243823
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)13-3-1-4-14-29)33-22(28(37)38)17-18-9-11-19(12-10-18)35-26-21(8-6-16-32-26)34-27(35)20-7-2-5-15-31-20/h6,8-12,16,20,22,31,33H,1-5,7,13-15,17H2,(H,37,38)/t20?,22-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243758
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(Cl)nc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:32| Show InChI InChI=1S/C29H25BrClN5O3/c30-23-24(29(25(23)37)12-2-1-3-13-29)34-21(28(38)39)15-17-6-9-19(10-7-17)36-26(18-8-11-22(31)33-16-18)35-20-5-4-14-32-27(20)36/h4-11,14,16,21,34H,1-3,12-13,15H2,(H,38,39)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243736
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
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
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| 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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| 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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50264777
(6,6-dimethyl-2-(6-(6-methylpyridazin-3-ylamino)-2H...)Show SMILES Cc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1 Show InChI InChI=1S/C21H22N6O2S/c1-12-4-7-17(26-25-12)22-13-5-6-16-15(10-13)27(8-9-29-16)20-23-14-11-21(2,3)24-19(28)18(14)30-20/h4-7,10H,8-9,11H2,1-3H3,(H,22,26)(H,24,28) | PDB
MMDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265362
(2-(6-(1-(3-aminopropyl)-3-methyl-1H-pyrazol-4-yl)-...)Show SMILES Cc1nn(CCCN)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 Show InChI InChI=1S/C23H28N6O2S/c1-14-16(13-28(27-14)8-4-7-24)15-5-6-19-18(11-15)29(9-10-31-19)22-25-17-12-23(2,3)26-21(30)20(17)32-22/h5-6,11,13H,4,7-10,12,24H2,1-3H3,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| 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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265317
(2-(6-(1-benzyl-1H-pyrazol-4-yl)-2H-benzo[b][1,4]ox...)Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C26H25N5O2S/c1-26(2)13-20-23(24(32)29-26)34-25(28-20)31-10-11-33-22-9-8-18(12-21(22)31)19-14-27-30(16-19)15-17-6-4-3-5-7-17/h3-9,12,14,16H,10-11,13,15H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265318
(6,6-dimethyl-2-(6-(1-(pyridin-3-ylmethyl)-1H-pyraz...)Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(cc12)-c1cnn(Cc2cccnc2)c1 Show InChI InChI=1S/C25H24N6O2S/c1-25(2)11-19-22(23(32)29-25)34-24(28-19)31-8-9-33-21-6-5-17(10-20(21)31)18-13-27-30(15-18)14-16-4-3-7-26-12-16/h3-7,10,12-13,15H,8-9,11,14H2,1-2H3,(H,29,32) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
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
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 | 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) |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50211428
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50211428
(CHEMBL245936 | N-ethyl-4-(4-(2-phenyl-1H-indol-3-y...)Show SMILES CCNC(=O)N1CCC(CC1)Nc1nccc(n1)-c1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H28N6O/c1-2-27-26(33)32-16-13-19(14-17-32)29-25-28-15-12-22(31-25)23-20-10-6-7-11-21(20)30-24(23)18-8-4-3-5-9-18/h3-12,15,19,30H,2,13-14,16-17H2,1H3,(H,27,33)(H,28,29,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK2 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243824
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCNC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h5,7-11,15,19,22,31,33H,1-4,6,12-14,16-17H2,(H,37,38)/t19?,22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50264873
(6,6-dimethyl-2-(6-(6-phenylpyridazin-3-ylamino)-2H...)Show SMILES CC1(C)Cc2nc(sc2C(=O)N1)N1CCOc2ccc(Nc3ccc(nn3)-c3ccccc3)cc12 Show InChI InChI=1S/C26H24N6O2S/c1-26(2)15-19-23(24(33)29-26)35-25(28-19)32-12-13-34-21-10-8-17(14-20(21)32)27-22-11-9-18(30-31-22)16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3,(H,27,31)(H,29,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243735
((S)-2-(2-Chloro-3-oxo-spiro[3.5]non-1-en-1-ylamino...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)NC1=C(Cl)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H26ClN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)16-18-8-10-20(11-9-18)35-26(19-6-4-14-31-17-19)34-21-7-5-15-32-27(21)35/h4-11,14-15,17,22,33H,1-3,12-13,16H2,(H,37,38)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50264872
(2-(6-(6-methoxypyridazin-3-ylamino)-2H-benzo[b][1,...)Show SMILES COc1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1 Show InChI InChI=1S/C21H22N6O3S/c1-21(2)11-13-18(19(28)24-21)31-20(23-13)27-8-9-30-15-5-4-12(10-14(15)27)22-16-6-7-17(29-3)26-25-16/h4-7,10H,8-9,11H2,1-3H3,(H,22,25)(H,24,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265319
(2-(6-(1,3-dimethyl-1H-pyrazol-4-yl)-2H-benzo[b][1,...)Show SMILES Cc1nn(C)cc1-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 Show InChI InChI=1S/C21H23N5O2S/c1-12-14(11-25(4)24-12)13-5-6-17-16(9-13)26(7-8-28-17)20-22-15-10-21(2,3)23-19(27)18(15)29-20/h5-6,9,11H,7-8,10H2,1-4H3,(H,23,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243820
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1ccc(nc1)C(F)(F)F)NC1=C(Br)C(=O)C11CCCCC1 |r,c:35| Show InChI InChI=1S/C30H25BrF3N5O3/c31-23-24(29(25(23)40)12-2-1-3-13-29)37-21(28(41)42)15-17-6-9-19(10-7-17)39-26(38-20-5-4-14-35-27(20)39)18-8-11-22(36-16-18)30(32,33)34/h4-11,14,16,21,37H,1-3,12-13,15H2,(H,41,42)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243821
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC2CC2)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:29| Show InChI InChI=1S/C28H29BrN4O3/c29-23-24(28(25(23)34)12-2-1-3-13-28)32-21(27(35)36)15-17-8-10-19(11-9-17)33-22(16-18-6-7-18)31-20-5-4-14-30-26(20)33/h4-5,8-11,14,18,21,32H,1-3,6-7,12-13,15-16H2,(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50264748
((R)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)Show SMILES COC[C@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r| Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243818
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:21| Show InChI InChI=1S/C27H29BrN4O3/c1-16(2)24-31-19-7-6-14-29-25(19)32(24)18-10-8-17(9-11-18)15-20(26(34)35)30-22-21(28)23(33)27(22)12-4-3-5-13-27/h6-11,14,16,20,30H,3-5,12-13,15H2,1-2H3,(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243819
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CNc1ccc(cn1)-c1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:27| Show InChI InChI=1S/C30H29BrN6O3/c1-32-23-12-9-19(17-34-23)27-36-21-6-5-15-33-28(21)37(27)20-10-7-18(8-11-20)16-22(29(39)40)35-25-24(31)26(38)30(25)13-3-2-4-14-30/h5-12,15,17,22,35H,2-4,13-14,16H2,1H3,(H,32,34)(H,39,40)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243757
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1COCCN1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C28H30BrN5O4/c29-22-23(28(24(22)35)10-2-1-3-11-28)32-20(27(36)37)15-17-6-8-18(9-7-17)34-25-19(5-4-12-31-25)33-26(34)21-16-38-14-13-30-21/h4-9,12,20-21,30,32H,1-3,10-11,13-16H2,(H,36,37)/t20-,21?/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50244342
((2S)-2-(2-bromo-4,4-dimethyl-3-oxocyclobut-1-enyla...)Show SMILES CC1(C)C(=O)C(Br)=C1N[C@@H](Cc1ccc(cc1)-n1c(nc2cccnc12)-c1cccnc1)C(O)=O |r,c:6| Show InChI InChI=1S/C26H22BrN5O3/c1-26(2)21(20(27)22(26)33)30-19(25(34)35)13-15-7-9-17(10-8-15)32-23(16-5-3-11-28-14-16)31-18-6-4-12-29-24(18)32/h3-12,14,19,30H,13H2,1-2H3,(H,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243756
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(CC#N)nc2cccnc12)NC1=C(Br)C(=O)C11CCCCC1 |r,c:27| Show InChI InChI=1S/C26H24BrN5O3/c27-21-22(26(23(21)33)11-2-1-3-12-26)31-19(25(34)35)15-16-6-8-17(9-7-16)32-20(10-13-28)30-18-5-4-14-29-24(18)32/h4-9,14,19,31H,1-3,10-12,15H2,(H,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243755
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CSCCc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C27H29BrN4O3S/c1-36-15-11-21-30-19-6-5-14-29-25(19)32(21)18-9-7-17(8-10-18)16-20(26(34)35)31-23-22(28)24(33)27(23)12-3-2-4-13-27/h5-10,14,20,31H,2-4,11-13,15-16H2,1H3,(H,34,35)/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243815
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES CC(C)Cc1nc2cccnc2n1-c1ccc(C[C@H](NC2=C(Br)C(=O)C22CCCCC2)C(O)=O)cc1 |r,c:22| Show InChI InChI=1S/C28H31BrN4O3/c1-17(2)15-22-31-20-7-6-14-30-26(20)33(22)19-10-8-18(9-11-19)16-21(27(35)36)32-24-23(29)25(34)28(24)12-4-3-5-13-28/h6-11,14,17,21,32H,3-5,12-13,15-16H2,1-2H3,(H,35,36)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50264871
(2-(6-(6-(dimethylamino)pyridazin-3-ylamino)-2H-ben...)Show SMILES CN(C)c1ccc(Nc2ccc3OCCN(c4nc5CC(C)(C)NC(=O)c5s4)c3c2)nn1 Show InChI InChI=1S/C22H25N7O2S/c1-22(2)12-14-19(20(30)25-22)32-21(24-14)29-9-10-31-16-6-5-13(11-15(16)29)23-17-7-8-18(27-26-17)28(3)4/h5-8,11H,9-10,12H2,1-4H3,(H,23,26)(H,25,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
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)) | 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 | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50211424
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-...)Show SMILES CCNC(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50211436
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26) | PDB
MMDB
NCI pathway
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243817
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCNCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:31| Show InChI InChI=1S/C29H32BrN5O3/c30-23-24(29(25(23)36)12-2-1-3-13-29)33-22(28(37)38)17-18-6-8-20(9-7-18)35-26(19-10-15-31-16-11-19)34-21-5-4-14-32-27(21)35/h4-9,14,19,22,31,33H,1-3,10-13,15-17H2,(H,37,38)/t22-/m0/s1 | PDB
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 |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
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 | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265364
((S)-2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol...)Show SMILES COC[C@@H](O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 |r| Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 10
(Homo sapiens (Human)) | BDBM50211436
(2-(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamin...)Show SMILES CNC(=O)CN1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H23ClN6O/c1-22-18(28)12-27-8-6-13(7-9-27)25-20-24-11-16(21)19(26-20)15-10-23-17-5-3-2-4-14(15)17/h2-5,10-11,13,23H,6-9,12H2,1H3,(H,22,28)(H,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK3 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair | |
Integrin alpha-4
(Homo sapiens (Human)) | BDBM50243816
((S)-2-(2-Bromo-3-oxo-spiro[3.5]non-1-en-1-ylamino)...)Show SMILES OC(=O)[C@H](Cc1ccc(cc1)-n1c(nc2cccnc12)C1CCCC1)NC1=C(Br)C(=O)C11CCCCC1 |r,c:30| Show InChI InChI=1S/C29H31BrN4O3/c30-23-24(29(25(23)35)14-4-1-5-15-29)32-22(28(36)37)17-18-10-12-20(13-11-18)34-26(19-7-2-3-8-19)33-21-9-6-16-31-27(21)34/h6,9-13,16,19,22,32H,1-5,7-8,14-15,17H2,(H,36,37)/t22-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of integrin alpha4beta1 receptor in human whole blood by flow cytometry |
Bioorg Med Chem Lett 18: 4146-9 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.075
BindingDB Entry DOI: 10.7270/Q2JW8DQZ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50211430
((4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)...)Show SMILES CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of JNK2 |
Bioorg Med Chem Lett 17: 3463-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.078
BindingDB Entry DOI: 10.7270/Q2959H7W |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50265282
(2-(6-(1-(2-hydroxy-3-methoxypropyl)-1H-pyrazol-4-y...)Show SMILES COCC(O)Cn1cc(cn1)-c1ccc2OCCN(c3nc4CC(C)(C)NC(=O)c4s3)c2c1 Show InChI InChI=1S/C23H27N5O4S/c1-23(2)9-17-20(21(30)26-23)33-22(25-17)28-6-7-32-19-5-4-14(8-18(19)28)15-10-24-27(11-15)12-16(29)13-31-3/h4-5,8,10-11,16,29H,6-7,9,12-13H2,1-3H3,(H,26,30) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
UCB
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kdelta (unknown origin) |
Bioorg Med Chem Lett 18: 5299-302 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.042
BindingDB Entry DOI: 10.7270/Q2WS8T3X |
More data for this
Ligand-Target Pair | |
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