Found 7777 hits with Last Name = 'shin' and Initial = 'y' 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 JAK2
(Homo sapiens (Human)) | BDBM50355501
![PNG](/data/jpeg/tenK5035/BindingDB_50355501.png) (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human JAK2 (828-1132) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay |
J Med Chem 56: 4521-36 (2013)
Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059194
![PNG](/data/jpeg/tenK5005/BindingDB_50059194.png) (CHEMBL3393337)Show SMILES N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C23H27N5O2/c24-13-16-4-7-25-21(10-16)26-22-11-18(12-23(27-22)30-20-2-1-3-20)17-5-8-28(9-6-17)19-14-29-15-19/h4,7,10-12,17,19-20H,1-3,5-6,8-9,14-15H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50355501
![PNG](/data/jpeg/tenK5035/BindingDB_50355501.png) (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human JAK1 (837-1142) expressed in baculovirus-infected Sf9 cells using EQEDEPEGDYFEWLE as substrate after 1 hr by HTRF assay |
J Med Chem 56: 4521-36 (2013)
Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0 |
More data for this Ligand-Target Pair | |
Prothrombin
(Homo sapiens (Human)) | BDBM50069294
![PNG](/data/jpeg/tenK5006/BindingDB_50069294.png) ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biotech Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against human thrombin |
Bioorg Med Chem Lett 8: 631-4 (1999)
BindingDB Entry DOI: 10.7270/Q2CR5SHR |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50193995
![PNG](/data/jpeg/tenK5019/BindingDB_50193995.png) (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
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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human GST-fused JAK3 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 3... |
J Med Chem 56: 4521-36 (2013)
Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059190
![PNG](/data/jpeg/tenK5005/BindingDB_50059190.png) (CHEMBL3393333)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1 Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| <0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101856
![PNG](/data/jpeg/tenK5010/BindingDB_50101856.png) ((E)-7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)...)Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2C\C=C\CCCC(O)=O)c1 Show InChI InChI=1S/C24H33ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h2,4,6-8,11-13,19-23,26-27H,3,5,9-10,14-16H2,1H3,(H,28,29)/b4-2+,12-11+/t19-,20-,21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101861
![PNG](/data/jpeg/tenK5010/BindingDB_50101861.png) (4-{(S)-2-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-15-16(18(22)13-17(15)21)10-12-25-11-5-7-19(23)24/h8-9,14-17,20-21H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,17+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059191
![PNG](/data/jpeg/tenK5005/BindingDB_50059191.png) (CHEMBL3393334)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CN(C1)C1COC1 Show InChI InChI=1S/C21H22F2N6O/c22-21(23)2-4-28(13-21)20-7-15(16-9-29(10-16)17-11-30-12-17)6-19(27-20)26-18-5-14(8-24)1-3-25-18/h1,3,5-7,16-17H,2,4,9-13H2,(H,25,26,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50193995
![PNG](/data/jpeg/tenK5019/BindingDB_50193995.png) (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
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| PDB Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human GST-fused JAK1 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 3... |
J Med Chem 56: 4521-36 (2013)
Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50193995
![PNG](/data/jpeg/tenK5019/BindingDB_50193995.png) (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
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| PDB Article PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of human GST-fused JAK2 catalytic domain expressed in baculovirus-infected Sf9 cells using polyglutamic acid-tyrosine as substrate after 3... |
J Med Chem 56: 4521-36 (2013)
Article DOI: 10.1021/jm400266t BindingDB Entry DOI: 10.7270/Q2VX0HX0 |
More data for this Ligand-Target Pair | ![3D 3D](/images/Docked_3d.png) 3D Structure (crystal) |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101836
![PNG](/data/jpeg/tenK5010/BindingDB_50101836.png) (6-[(S)-(R)-3-Hydroxy-2-((1S,2R)-3-hydroxy-oct-1-en...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCCCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-5-8-14(20)10-11-15-16(21)13-17(22)19(15)25-12-7-4-6-9-18(23)24/h10-11,14-16,19-21H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,19+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101858
![PNG](/data/jpeg/tenK5010/BindingDB_50101858.png) (4-(2-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxy-4-(3...)Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)CC(=O)[C@@H]2CCSCCCC(O)=O)c1 Show InChI InChI=1S/C23H32O6S/c1-29-15-17-5-2-4-16(12-17)13-18(24)7-8-19-20(22(26)14-21(19)25)9-11-30-10-3-6-23(27)28/h2,4-5,7-8,12,18-21,24-25H,3,6,9-11,13-15H2,1H3,(H,27,28)/b8-7+/t18-,19-,20-,21-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
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Minase Research Institute
Curated by ChEMBL
| Assay Description Effective concentration for increased intracellular c-AMP production by mouse Prostanoid EP4 receptor |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059201
![PNG](/data/jpeg/tenK5005/BindingDB_50059201.png) (CHEMBL3393329)Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCOCC1 Show InChI InChI=1S/C20H21F2N5O/c21-20(22)4-6-27(13-20)19-11-16(15-2-7-28-8-3-15)10-18(26-19)25-17-9-14(12-23)1-5-24-17/h1,5,9-11,15H,2-4,6-8,13H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Prostacyclin receptor
(RAT) | BDBM23954
![PNG](/data/jpeg/tenK2/BindingDB_23954.png) (5-[(2E,3aS,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydro...)Show SMILES [H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O Show InChI InChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18+,19-,20+,21+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
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| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]-iloprost from recombinant rat IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation count... |
J Med Chem 60: 913-927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059202
![PNG](/data/jpeg/tenK5005/BindingDB_50059202.png) (CHEMBL3393327)Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)N1CCC(F)(F)C1 Show InChI InChI=1S/C22H24F5N5O/c1-14(33)31-7-3-15(4-8-31)16-10-19(29-18-12-17(2-6-28-18)22(25,26)27)30-20(11-16)32-9-5-21(23,24)13-32/h2,6,10-12,15H,3-5,7-9,13H2,1H3,(H,28,29,30) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059198
![PNG](/data/jpeg/tenK5005/BindingDB_50059198.png) (CHEMBL3393340)Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)C2CC2)C2CCN(CC2)C2COC2)c1 Show InChI InChI=1S/C22H25N5O/c23-12-15-3-6-24-21(9-15)26-22-11-18(10-20(25-22)17-1-2-17)16-4-7-27(8-5-16)19-13-28-14-19/h3,6,9-11,16-17,19H,1-2,4-5,7-8,13-14H2,(H,24,25,26) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50403100
![PNG](/data/jpeg/tenK5040/BindingDB_50403100.png) (CHEMBL2216891 | US8765940, 4-(3,3-dimethyl-6-(4-mo...)Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C31H32F2N4O3S/c1-18-6-7-26(41(5,38)39)22(12-18)28-19(2)29(27-23(33)13-20(32)14-24(27)35-28)37-17-31(3,4)30-25(37)15-21(16-34-30)36-8-10-40-11-9-36/h6-7,12-16H,8-11,17H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| 1.05 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Prothrombin
(Bos taurus (Bovine)) | BDBM50069294
![PNG](/data/jpeg/tenK5006/BindingDB_50069294.png) ((S)-3-[4-(carbohydrazonamidol)-phenyl]-N-cyclopent...)Show SMILES CN(C1CCCC1)C(=O)[C@H](Cc1ccc(cc1)C(N)=NN)NS(=O)(=O)c1ccc2ccccc2c1 |w:19.21| Show InChI InChI=1S/C26H31N5O3S/c1-31(22-8-4-5-9-22)26(32)24(16-18-10-12-20(13-11-18)25(27)29-28)30-35(33,34)23-15-14-19-6-2-3-7-21(19)17-23/h2-3,6-7,10-15,17,22,24,30H,4-5,8-9,16,28H2,1H3,(H2,27,29)/t24-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biotech Research Institute
Curated by ChEMBL
| Assay Description Compound was tested for inhibitory activity against bovine thrombin |
Bioorg Med Chem Lett 8: 631-4 (1999)
BindingDB Entry DOI: 10.7270/Q2CR5SHR |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Mus musculus (Mouse)) | BDBM50101860
![PNG](/data/jpeg/tenK5010/BindingDB_50101860.png) (CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124797
![PNG](/data/jpeg/tenK12/BindingDB_124797.png) (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCC1=O Show InChI InChI=1S/C28H29F2N5O3/c1-17-25(24-20(30)12-18(29)13-21(24)32-27(17)34-5-2-23(34)36)35-16-28(3-8-37-9-4-28)26-22(35)14-19(15-31-26)33-6-10-38-11-7-33/h12-15H,2-11,16H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.27 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124781
![PNG](/data/jpeg/tenK12/BindingDB_124781.png) (US8765940, 1-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCS(=O)(=O)CC2)c2ccc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C31H31FN4O3S/c1-21-29(26-4-2-3-11-33-26)34-27-18-22(32)5-7-24(27)30(21)36-20-31(9-16-40(37,38)17-10-31)25-8-6-23(19-28(25)36)35-12-14-39-15-13-35/h2-8,11,18-19H,9-10,12-17,20H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.37 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124778
![PNG](/data/jpeg/tenK12/BindingDB_124778.png) (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-m...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CC(C)(C)CCC1=O Show InChI InChI=1S/C32H37F2N5O3/c1-20-28(27-23(34)14-21(33)15-24(27)36-30(20)39-18-31(2,3)5-4-26(39)40)38-19-32(6-10-41-11-7-32)29-25(38)16-22(17-35-29)37-8-12-42-13-9-37/h14-17H,4-13,18-19H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.49 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124765
![PNG](/data/jpeg/tenK12/BindingDB_124765.png) (US8765940, 1'-(5,7-difluoro-3-methyl-2-(5-meth...)Show SMILES Cc1ccc(c(c1)-c1nc2cc(F)cc(F)c2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C)S(C)(=O)=O Show InChI InChI=1S/C33H34F2N4O4S/c1-20-4-5-28(44(3,40)41)24(14-20)30-21(2)31(29-25(35)15-22(34)16-26(29)37-30)39-19-33(6-10-42-11-7-33)32-27(39)17-23(18-36-32)38-8-12-43-13-9-38/h4-5,14-18H,6-13,19H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.51 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124764
![PNG](/data/jpeg/tenK12/BindingDB_124764.png) (US8765940, 2-(2,2-dimethyl-4-morpholinyl)-4-(3,3-d...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)N1CCOC(C)(C)C1 Show InChI InChI=1S/C29H35F2N5O2/c1-18-25(36-16-28(2,3)26-23(36)14-20(15-32-26)34-6-9-37-10-7-34)24-21(31)12-19(30)13-22(24)33-27(18)35-8-11-38-29(4,5)17-35/h12-15H,6-11,16-17H2,1-5H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.52 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124749
![PNG](/data/jpeg/tenK12/BindingDB_124749.png) (US8765940, 1-(4-(3,3-dimethyl-6-(4-morpholinyl)-2,...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)N1CCCC1=O Show InChI InChI=1S/C27H29F2N5O2/c1-16-24(23-19(29)11-17(28)12-20(23)31-26(16)33-6-4-5-22(33)35)34-15-27(2,3)25-21(34)13-18(14-30-25)32-7-9-36-10-8-32/h11-14H,4-10,15H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.54 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124759
![PNG](/data/jpeg/tenK12/BindingDB_124759.png) (US8765940, 1-(7-fluoro-3-methyl-4-(6'-(4-morph...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCCCC1=O Show InChI InChI=1S/C30H34FN5O3/c1-20-27(23-6-5-21(31)16-24(23)33-29(20)35-9-3-2-4-26(35)37)36-19-30(7-12-38-13-8-30)28-25(36)17-22(18-32-28)34-10-14-39-15-11-34/h5-6,16-18H,2-4,7-15,19H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.62 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Mus musculus (Mouse)) | BDBM50101861
![PNG](/data/jpeg/tenK5010/BindingDB_50101861.png) (4-{(S)-2-[(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCSCCCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-4-6-14(20)8-9-15-16(18(22)13-17(15)21)10-12-25-11-5-7-19(23)24/h8-9,14-17,20-21H,2-7,10-13H2,1H3,(H,23,24)/b9-8+/t14-,15+,16+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124767
![PNG](/data/jpeg/tenK12/BindingDB_124767.png) (US8765940, 1-(7-fluoro-3-methyl-2-(4-methyl-2-pyri...)Show SMILES Cc1ccnc(c1)-c1nc2cc(F)ccc2c(N2CCS(=O)(=O)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C27H26FN5O3S/c1-17-5-6-29-23(13-17)25-18(2)26(21-4-3-19(28)14-22(21)31-25)33-9-12-37(34,35)27-24(33)15-20(16-30-27)32-7-10-36-11-8-32/h3-6,13-16H,7-12H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 1.96 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 12
(Homo sapiens (Human)) | BDBM50059205
![PNG](/data/jpeg/tenK5005/BindingDB_50059205.png) (CHEMBL3393322 | US9868720, No. 92)Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1 Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Genentech
Curated by ChEMBL
| Assay Description Inhibition of DLK (unknown origin) |
J Med Chem 58: 401-18 (2015)
Article DOI: 10.1021/jm5013984 BindingDB Entry DOI: 10.7270/Q22J6DJ5 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP3 subtype
(Mus musculus (Mouse)) | BDBM50101862
![PNG](/data/jpeg/tenK5010/BindingDB_50101862.png) (5-[(S)-(R)-3-Hydroxy-2-((1R,2R)-3-hydroxy-oct-1-en...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CSCCCCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-15-16(18(22)12-17(15)21)13-25-11-6-5-8-19(23)24/h9-10,14-17,20-21H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP3 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101860
![PNG](/data/jpeg/tenK5010/BindingDB_50101860.png) (CHEMBL64188 | {(S)-4-[(R)-3-Hydroxy-2-((1R,2R)-3-h...)Show SMILES CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCSCC(O)=O Show InChI InChI=1S/C19H32O5S/c1-2-3-4-7-14(20)9-10-16-15(17(21)12-18(16)22)8-5-6-11-25-13-19(23)24/h9-10,14-16,18,20,22H,2-8,11-13H2,1H3,(H,23,24)/b10-9+/t14-,15+,16+,18+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
| PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124766
![PNG](/data/jpeg/tenK12/BindingDB_124766.png) (US8765940, 1-(7-fluoro-3-methyl-2-(2-pyridinyl)-4-...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CCS(=O)(=O)c2ncc(cc12)N1CCOCC1)-c1ccccn1 Show InChI InChI=1S/C26H24FN5O3S/c1-17-24(21-4-2-3-7-28-21)30-22-14-18(27)5-6-20(22)25(17)32-10-13-36(33,34)26-23(32)15-19(16-29-26)31-8-11-35-12-9-31/h2-7,14-16H,8-13H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.22 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124799
![PNG](/data/jpeg/tenK12/BindingDB_124799.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1c(nc2ncccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cncc(F)c1 Show InChI InChI=1S/C27H27FN6O/c1-17-23(18-11-19(28)14-29-13-18)32-26-21(5-4-6-30-26)24(17)34-16-27(2,3)25-22(34)12-20(15-31-25)33-7-9-35-10-8-33/h4-6,11-15H,7-10,16H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.24 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124783
![PNG](/data/jpeg/tenK12/BindingDB_124783.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1c(nc2ncccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cccc(F)c1 Show InChI InChI=1S/C28H28FN5O/c1-18-24(19-6-4-7-20(29)14-19)32-27-22(8-5-9-30-27)25(18)34-17-28(2,3)26-23(34)15-21(16-31-26)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124798
![PNG](/data/jpeg/tenK12/BindingDB_124798.png) (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CC(C)(C)CC1=O Show InChI InChI=1S/C31H35F2N5O3/c1-19-27(26-22(33)12-20(32)13-23(26)35-29(19)38-17-30(2,3)15-25(38)39)37-18-31(4-8-40-9-5-31)28-24(37)14-21(16-34-28)36-6-10-41-11-7-36/h12-14,16H,4-11,15,17-18H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124743
![PNG](/data/jpeg/tenK12/BindingDB_124743.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES COc1cccc(Cc2nc3cc(F)cc(F)c3c(N3CC(C)(C)c4ncc(cc34)N3CCOCC3)c2C)c1 Show InChI InChI=1S/C31H32F2N4O2/c1-19-25(13-20-6-5-7-23(12-20)38-4)35-26-15-21(32)14-24(33)28(26)29(19)37-18-31(2,3)30-27(37)16-22(17-34-30)36-8-10-39-11-9-36/h5-7,12,14-17H,8-11,13,18H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.34 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124775
![PNG](/data/jpeg/tenK12/BindingDB_124775.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1ccnc(c1)-c1nc2ncccc2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C28H30N6O/c1-18-7-9-29-22(14-18)24-19(2)25(21-6-5-8-30-27(21)32-24)34-17-28(3,4)26-23(34)15-20(16-31-26)33-10-12-35-13-11-33/h5-9,14-16H,10-13,17H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.36 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124758
![PNG](/data/jpeg/tenK12/BindingDB_124758.png) (US8765940, 1-(5,7-difluoro-3-methyl-4-(6'-(4-morph...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCCC1=O Show InChI InChI=1S/C29H31F2N5O3/c1-18-26(25-21(31)13-19(30)14-22(25)33-28(18)35-6-2-3-24(35)37)36-17-29(4-9-38-10-5-29)27-23(36)15-20(16-32-27)34-7-11-39-12-8-34/h13-16H,2-12,17H2,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.36 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124676
![PNG](/data/jpeg/tenK12/BindingDB_124676.png) (US8765940, 4-(1-(7-fluoro-3-methyl-2-(2-(methylsul...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccc1S(C)(=O)=O Show InChI InChI=1S/C30H27FN6O2S/c1-17-26(21-7-5-6-8-25(21)40(4,38)39)35-23-14-19(31)9-10-20(23)27(17)37-16-30(2,3)28-24(37)13-18(15-34-28)22-11-12-33-29(32)36-22/h5-15H,16H2,1-4H3,(H2,32,33,36) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.44 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124734
![PNG](/data/jpeg/tenK12/BindingDB_124734.png) (US8765940, 3-((4-(3,3-dimethyl-6-(4-morpholinyl)-2...)Show SMILES Cc1c(Cc2cccc(c2)C#N)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C31H29F2N5O/c1-19-25(12-20-5-4-6-21(11-20)16-34)36-26-14-22(32)13-24(33)28(26)29(19)38-18-31(2,3)30-27(38)15-23(17-35-30)37-7-9-39-10-8-37/h4-6,11,13-15,17H,7-10,12,18H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.68 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124757
![PNG](/data/jpeg/tenK12/BindingDB_124757.png) (US8765940, 1'-(8-chloro-2,3-dimethyl-4-quinoli...)Show SMILES Cc1nc2c(Cl)cccc2c(N2CC3(CCOCC3)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C26H29ClN4O2/c1-17-18(2)29-23-20(4-3-5-21(23)27)24(17)31-16-26(6-10-32-11-7-26)25-22(31)14-19(15-28-25)30-8-12-33-13-9-30/h3-5,14-15H,6-13,16H2,1-2H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.68 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124779
![PNG](/data/jpeg/tenK12/BindingDB_124779.png) (US8765940, tert-butyl 4-(5,7-difluoro-3-methyl-4-(...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)N1CCN(CC1)C(=O)OC(C)(C)C Show InChI InChI=1S/C34H42F2N6O4/c1-22-29(42-21-34(5-13-44-14-6-34)30-27(42)19-24(20-37-30)39-11-15-45-16-12-39)28-25(36)17-23(35)18-26(28)38-31(22)40-7-9-41(10-8-40)32(43)46-33(2,3)4/h17-20H,5-16,21H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Prostaglandin E2 receptor EP4 subtype
(Mus musculus (Mouse)) | BDBM50101855
![PNG](/data/jpeg/tenK5010/BindingDB_50101855.png) (7-{(1R,2R,3R,5R)-5-Chloro-3-hydroxy-2-[(E)-(S)-3-h...)Show SMILES COCc1cccc(C[C@H](O)\C=C\[C@H]2[C@H](O)C[C@@H](Cl)[C@@H]2CCCCCCC(O)=O)c1 Show InChI InChI=1S/C24H35ClO5/c1-30-16-18-8-6-7-17(13-18)14-19(26)11-12-21-20(22(25)15-23(21)27)9-4-2-3-5-10-24(28)29/h6-8,11-13,19-23,26-27H,2-5,9-10,14-16H2,1H3,(H,28,29)/b12-11+/t19-,20-,21-,22-,23-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Minase Research Institute
Curated by ChEMBL
| Assay Description Affinity for mouse Prostanoid EP4 receptor expressed in CHO cells |
Bioorg Med Chem Lett 11: 2033-5 (2001)
BindingDB Entry DOI: 10.7270/Q24B30K2 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124731
![PNG](/data/jpeg/tenK12/BindingDB_124731.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1cccc2[nH]ccc12 Show InChI InChI=1S/C31H29F2N5O/c1-18-28(22-5-4-6-24-21(22)7-8-34-24)36-25-14-19(32)13-23(33)27(25)29(18)38-17-31(2,3)30-26(38)15-20(16-35-30)37-9-11-39-12-10-37/h4-8,13-16,34H,9-12,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.77 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124732
![PNG](/data/jpeg/tenK12/BindingDB_124732.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1c(Cc2cccc(F)c2)nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1 Show InChI InChI=1S/C30H29F3N4O/c1-18-24(12-19-5-4-6-20(31)11-19)35-25-14-21(32)13-23(33)27(25)28(18)37-17-30(2,3)29-26(37)15-22(16-34-29)36-7-9-38-10-8-36/h4-6,11,13-16H,7-10,12,17H2,1-3H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.87 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124728
![PNG](/data/jpeg/tenK12/BindingDB_124728.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1c(nc2cc(F)cc(F)c2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)C(=C)c1ccccc1 Show InChI InChI=1S/C31H30F2N4O/c1-19(21-8-6-5-7-9-21)28-20(2)29(27-24(33)14-22(32)15-25(27)35-28)37-18-31(3,4)30-26(37)16-23(17-34-30)36-10-12-38-13-11-36/h5-9,14-17H,1,10-13,18H2,2-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50396616
![PNG](/data/jpeg/tenK5039/BindingDB_50396616.png) (CHEMBL2171930 | US8765940, 4-(1-(7-fluoro-3-methyl...)Show SMILES Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)-c1ccnc(N)n1)-c1ccccn1 Show InChI InChI=1S/C28H24FN7/c1-16-24(21-6-4-5-10-31-21)34-22-13-18(29)7-8-19(22)25(16)36-15-28(2,3)26-23(36)12-17(14-33-26)20-9-11-32-27(30)35-20/h4-14H,15H2,1-3H3,(H2,30,32,35) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PI3Kdelta using phosphatidylinositol-4,5-bisphosphate by ATP bioluminescence assay |
J Med Chem 55: 7667-85 (2012)
Article DOI: 10.1021/jm300679u BindingDB Entry DOI: 10.7270/Q2J38TQ0 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM124747
![PNG](/data/jpeg/tenK12/BindingDB_124747.png) (US8765940, 4-(3,3-dimethyl-6-(4-morpholinyl)-2,3-d...)Show SMILES Cc1cncc(c1)-c1nc2cc(F)cc(F)c2c(N2CC(C)(C)c3ncc(cc23)N2CCOCC2)c1C Show InChI InChI=1S/C29H29F2N5O/c1-17-9-19(14-32-13-17)26-18(2)27(25-22(31)10-20(30)11-23(25)34-26)36-16-29(3,4)28-24(36)12-21(15-33-28)35-5-7-37-8-6-35/h9-15H,5-8,16H2,1-4H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| PC cid PC sid UniChem
Similars
| US Patent
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | 7.0 | n/a |
Amgen Inc.
US Patent
| Assay Description A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Kα, PI... |
US Patent US8765940 (2014)
BindingDB Entry DOI: 10.7270/Q2WW7G94 |
More data for this Ligand-Target Pair | |
Prostacyclin receptor
(Homo sapiens (Human)) | BDBM50235385
![PNG](/data/jpeg/tenK5023/BindingDB_50235385.png) (APD-811 | Ralinepag)Show SMILES OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-11.29,-9.03,;-9.96,-9.8,;-9.96,-11.34,;-8.62,-9.03,;-7.29,-9.8,;-5.96,-9.03,;-4.62,-9.8,;-3.29,-9.03,;-1.96,-9.8,;-1.96,-11.34,;-.62,-12.11,;.71,-11.34,;2.04,-12.11,;2.04,-13.65,;3.38,-11.34,;3.38,-9.8,;2.04,-9.03,;2.04,-7.49,;3.38,-6.72,;4.71,-7.49,;4.71,-9.03,;4.71,-12.11,;6.05,-11.34,;7.38,-12.11,;7.38,-13.65,;8.71,-14.42,;6.05,-14.42,;4.71,-13.65,;-3.29,-12.11,;-4.62,-11.34,)| Show InChI InChI=1S/C23H26ClNO5/c24-19-10-12-21(13-11-19)25(20-4-2-1-3-5-20)23(28)30-15-18-8-6-17(7-9-18)14-29-16-22(26)27/h1-5,10-13,17-18H,6-9,14-16H2,(H,26,27)/t17-,18- | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Arena Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of [3H]-iloprost from recombinant human IP receptor expressed in CHO-K1 cell membranes incubated for 1 hr by top count scintillation cou... |
J Med Chem 60: 913-927 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00871 BindingDB Entry DOI: 10.7270/Q2VX0JSM |
More data for this Ligand-Target Pair | |