Found 326 hits with Last Name = 'kahler' and Initial = 'km' 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 |
|---|
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396532
(CHEMBL2171126)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(F)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H18F3N5O/c1-30-10-16(20-22(27)28-11-29-23(20)30)12-2-3-18-13(6-12)4-5-31(18)19(32)8-14-7-15(24)9-17(25)21(14)26/h2-3,6-7,9-11H,4-5,8H2,1H3,(H2,27,28,29) | PDB
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396536
(CHEMBL2171122)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(Cl)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H20ClN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
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GoogleScholar
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| CHEMBL
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UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396539
(CHEMBL2171144)Show SMILES Cc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1 Show InChI InChI=1S/C24H23N5O/c1-15-4-3-5-16(10-15)11-21(30)29-9-8-18-12-17(6-7-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27) | PDB
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| CHEMBL
PC cid
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UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396542
(CHEMBL2171141)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(F)c2)c2c(N)ncnc12 Show InChI InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-5-6-19-16(11-15)7-8-29(19)20(30)10-14-3-2-4-17(24)9-14/h2-6,9,11-13H,7-8,10H2,1H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396540
(CHEMBL2171143)Show SMILES Cc1ccccc1CC(=O)N1CCc2cc(ccc12)-c1cn(C)c2ncnc(N)c12 Show InChI InChI=1S/C24H23N5O/c1-15-5-3-4-6-16(15)12-21(30)29-10-9-18-11-17(7-8-20(18)29)19-13-28(2)24-22(19)23(25)26-14-27-24/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396533
(CHEMBL2171125)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)cc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H19F4N5O/c1-32-11-18(21-22(29)30-12-31-23(21)32)14-2-3-19-15(9-14)4-5-33(19)20(34)8-13-6-16(24(26,27)28)10-17(25)7-13/h2-3,6-7,9-12H,4-5,8H2,1H3,(H2,29,30,31) | PDB
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| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396544
(CHEMBL2171139)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H19F2N5O/c1-29-11-17(21-22(26)27-12-28-23(21)29)13-2-5-19-14(8-13)6-7-30(19)20(31)10-15-9-16(24)3-4-18(15)25/h2-5,8-9,11-12H,6-7,10H2,1H3,(H2,26,27,28) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396534
(CHEMBL2171124)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(c2)C(F)(F)F)c2c(N)ncnc12 Show InChI InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | PDB
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Article
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396535
(CHEMBL2171123)Show SMILES COc1cccc(CC(=O)N2CCc3cc(ccc23)-c2cn(C)c3ncnc(N)c23)c1 Show InChI InChI=1S/C24H23N5O2/c1-28-13-19(22-23(25)26-14-27-24(22)28)16-6-7-20-17(12-16)8-9-29(20)21(30)11-15-4-3-5-18(10-15)31-2/h3-7,10,12-14H,8-9,11H2,1-2H3,(H2,25,26,27) | PDB
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UniChem
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396548
(CHEMBL2171135)Show SMILES Nc1ncnc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 Show InChI InChI=1S/C22H16F2N4OS/c23-15-2-3-17(24)14(8-15)9-19(29)28-6-5-13-7-12(1-4-18(13)28)16-10-30-22-20(16)21(25)26-11-27-22/h1-4,7-8,10-11H,5-6,9H2,(H2,25,26,27) | PDB
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396543
(CHEMBL2171140)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2F)c2c(N)ncnc12 Show InChI InChI=1S/C23H20FN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396537
(CHEMBL2171121 | D3RKN_50)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccccc2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C23H20ClN5O/c1-28-12-17(21-22(25)26-13-27-23(21)28)14-6-7-19-16(10-14)8-9-29(19)20(30)11-15-4-2-3-5-18(15)24/h2-7,10,12-13H,8-9,11H2,1H3,(H2,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396550
(CHEMBL2171131)Show SMILES Nc1ncc(-c2cn[nH]c2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12 Show InChI InChI=1S/C26H21N5OS/c27-26-24-21(15-33-25(24)20(14-28-26)19-12-29-30-13-19)17-6-7-22-18(11-17)8-9-31(22)23(32)10-16-4-2-1-3-5-16/h1-7,11-15H,8-10H2,(H2,27,28)(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396552
(CHEMBL2171129)Show SMILES Nc1ncc(-c2ccncc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12 Show InChI InChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-9,11-12,15-17H,10,13-14H2,(H2,29,31) | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446266
(CHEMBL3109212)Show SMILES Nc1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C27H19F4N5O/c28-23-8-7-18(27(29,30)31)12-24(23)36-26(37)35-20-6-2-4-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-3-1-5-19(32)9-15/h1-14H,32H2,(H,33,34)(H2,35,36,37) | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396531
(CHEMBL2171132)Show SMILES Cn1cc(cn1)-c1cnc(N)c2c(csc12)-c1ccc2N(CCc2c1)C(=O)Cc1ccccc1 Show InChI InChI=1S/C27H23N5OS/c1-31-15-20(13-30-31)21-14-29-27(28)25-22(16-34-26(21)25)18-7-8-23-19(12-18)9-10-32(23)24(33)11-17-5-3-2-4-6-17/h2-8,12-16H,9-11H2,1H3,(H2,28,29) | PDB
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PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396541
(CHEMBL2171142)Show SMILES Cn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2ccc(F)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C23H20FN5O/c1-28-12-18(21-22(25)26-13-27-23(21)28)15-4-7-19-16(11-15)8-9-29(19)20(30)10-14-2-5-17(24)6-3-14/h2-7,11-13H,8-10H2,1H3,(H2,25,26,27) | PDB
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antibodypedia
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AffyNet
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UniChem
Similars
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PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396551
(CHEMBL2171130)Show SMILES Nc1ncc(C2CCNCC2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12 Show InChI InChI=1S/C28H28N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)19-8-11-30-12-9-19)20-6-7-24-21(15-20)10-13-32(24)25(33)14-18-4-2-1-3-5-18/h1-7,15-17,19,30H,8-14H2,(H2,29,31) | PDB
UniProtKB/SwissProt
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396549
(CHEMBL2171134)Show SMILES Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 Show InChI InChI=1S/C23H17F2N3OS/c24-16-2-3-18(25)15(10-16)11-21(29)28-8-6-14-9-13(1-4-19(14)28)17-12-30-20-5-7-27-23(26)22(17)20/h1-5,7,9-10,12H,6,8,11H2,(H2,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396528
(CHEMBL2171128)Show SMILES Nc1ncc(-c2cccnc2)c2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12 Show InChI InChI=1S/C28H22N4OS/c29-28-26-23(17-34-27(26)22(16-31-28)21-7-4-11-30-15-21)19-8-9-24-20(14-19)10-12-32(24)25(33)13-18-5-2-1-3-6-18/h1-9,11,14-17H,10,12-13H2,(H2,29,31) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446270
(CHEMBL3109194)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38) | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446269
(CHEMBL3109209)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396545
(CHEMBL2171138)Show SMILES Cn1nc(-c2ccc3N(CCc3c2)C(=O)Cc2cc(F)ccc2F)c2c(N)ncnc12 Show InChI InChI=1S/C22H18F2N6O/c1-29-22-19(21(25)26-11-27-22)20(28-29)13-2-5-17-12(8-13)6-7-30(17)18(31)10-14-9-15(23)3-4-16(14)24/h2-5,8-9,11H,6-7,10H2,1H3,(H2,25,26,27) | PDB
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| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576323
(CHEMBL4866146)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ncc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(17.72,-11.38,;16.96,-12.72,;18.5,-12.71,;16.96,-14.26,;15.63,-11.95,;15.63,-10.41,;14.29,-9.63,;12.97,-10.41,;12.97,-11.95,;14.29,-12.71,;11.64,-9.64,;10.3,-10.41,;8.97,-9.65,;10.31,-11.95,;11.65,-12.72,;11.65,-14.27,;10.31,-15.04,;10,-16.55,;8.46,-16.72,;7.83,-15.31,;8.97,-14.27,;8.98,-12.72,;11.03,-17.69,;10.55,-19.15,;11.59,-20.29,;13.09,-19.97,;13.56,-18.5,;15.07,-18.17,;12.53,-17.36,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446264
(CHEMBL3109214)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35) | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446269
(CHEMBL3109209)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.fmk-induced necrotic cell death preincubated for 30 to 60 mins followe... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446274
(CHEMBL3109205)Show SMILES COc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C27H22N4O2/c1-33-23-12-6-11-22(15-23)31-27(32)30-21-10-5-9-19(13-21)25-17-29-26-24(25)14-20(16-28-26)18-7-3-2-4-8-18/h2-17H,1H3,(H,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
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PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396547
(CHEMBL2171136)Show SMILES Nc1ncnc2occ(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 Show InChI InChI=1S/C22H16F2N4O2/c23-15-2-3-17(24)14(8-15)9-19(29)28-6-5-13-7-12(1-4-18(13)28)16-10-30-22-20(16)21(25)26-11-27-22/h1-4,7-8,10-11H,5-6,9H2,(H2,25,26,27) | PDB
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MCE
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| Article
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| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446269
(CHEMBL3109209)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cccnc1)C(F)(F)F Show InChI InChI=1S/C26H17F4N5O/c27-22-7-6-18(26(28,29)30)11-23(22)35-25(36)34-19-5-1-3-15(9-19)21-14-33-24-20(21)10-17(13-32-24)16-4-2-8-31-12-16/h1-14H,(H,32,33)(H2,34,35,36) | PDB
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| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576316
(CHEMBL4870703)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r,wU:7.10,wD:4.3,(2.16,-11.57,;2.98,-12.88,;3.7,-11.51,;1.68,-13.7,;4.35,-13.61,;4.4,-15.15,;5.77,-15.87,;7.07,-15.05,;7.01,-13.51,;5.65,-12.79,;8.44,-15.77,;9.74,-14.95,;9.68,-13.41,;11.1,-15.66,;11.16,-17.2,;12.51,-17.92,;13.81,-17.1,;15.29,-17.52,;16.15,-16.25,;15.2,-15.04,;13.76,-15.57,;12.4,-14.84,;17.68,-16.19,;18.5,-17.5,;20.03,-17.44,;20.76,-16.08,;19.93,-14.77,;18.39,-14.83,;17.57,-13.53,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396546
(CHEMBL2171137)Show SMILES Nc1nccc2occ(-c3ccc4N(CCc4c3)C(=O)Cc3cc(F)ccc3F)c12 Show InChI InChI=1S/C23H17F2N3O2/c24-16-2-3-18(25)15(10-16)11-21(29)28-8-6-14-9-13(1-4-19(14)28)17-12-30-20-5-7-27-23(26)22(17)20/h1-5,7,9-10,12H,6,8,11H2,(H2,26,27) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576314
(CHEMBL4864805)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1 |r,wU:7.10,wD:4.3,(2.48,-1.86,;3.3,-3.17,;4.02,-1.8,;2,-3.99,;4.67,-3.9,;4.72,-5.44,;6.09,-6.16,;7.39,-5.34,;7.33,-3.8,;5.97,-3.08,;8.76,-6.06,;10.06,-5.24,;10,-3.7,;11.42,-5.96,;11.48,-7.5,;12.83,-8.21,;14.13,-7.39,;15.61,-7.81,;16.46,-6.54,;15.52,-5.33,;14.08,-5.86,;12.72,-5.13,;18,-6.48,;18.81,-7.79,;20.35,-7.73,;21.08,-6.37,;20.25,-5.06,;18.71,-5.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446259
(CHEMBL3109219)Show SMILES CCc1cccc(NC(=O)Nc2ccc(cc2)-c2coc3ncnc(N)c23)c1 Show InChI InChI=1S/C21H19N5O2/c1-2-13-4-3-5-16(10-13)26-21(27)25-15-8-6-14(7-9-15)17-11-28-20-18(17)19(22)23-12-24-20/h3-12H,2H2,1H3,(H2,22,23,24)(H2,25,26,27) | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446278
(CHEMBL3109202)Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)nccc23)no1 Show InChI InChI=1S/C23H23N5O2/c1-23(2,3)19-13-20(28-30-19)27-22(29)26-15-9-7-14(8-10-15)16-5-4-6-18-17(16)11-12-25-21(18)24/h4-13H,1-3H3,(H2,24,25)(H2,26,27,28,29) | PDB
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MCE
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446254
(CHEMBL3109198)Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2ccc(F)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C23H16F4N4O/c24-20-9-8-15(12-19(20)23(25,26)27)31-22(32)30-14-6-4-13(5-7-14)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
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UniChem
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM15006
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C20H14F3N5O2/c21-20(22,23)12-2-1-3-14(8-12)28-19(29)27-13-6-4-11(5-7-13)15-9-30-18-16(15)17(24)25-10-26-18/h1-10H,(H2,24,25,26)(H2,27,28,29) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576324
(CHEMBL4868339)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2n(ccc2c1)-c1cccc(F)c1 |r,wU:7.10,wD:4.3,(32.28,-11.78,;31.52,-13.11,;33.06,-13.1,;31.53,-14.65,;30.2,-12.34,;30.2,-10.8,;28.86,-10.03,;27.54,-10.8,;27.53,-12.34,;28.86,-13.11,;26.2,-10.04,;24.87,-10.81,;23.54,-10.04,;24.88,-12.35,;26.21,-13.11,;26.22,-14.66,;24.88,-15.44,;24.56,-16.95,;23.03,-17.12,;22.39,-15.7,;23.54,-14.67,;23.55,-13.12,;25.6,-18.09,;25.12,-19.55,;26.15,-20.69,;27.66,-20.37,;28.13,-18.89,;29.63,-18.56,;27.09,-17.76,)| | PDB
MMDB
Reactome pathway
KEGG
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446267
(CHEMBL3109211)Show SMILES CS(=O)(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C28H20F4N4O3S/c1-40(38,39)21-7-3-4-16(11-21)18-12-22-23(15-34-26(22)33-14-18)17-5-2-6-20(10-17)35-27(37)36-25-13-19(28(30,31)32)8-9-24(25)29/h2-15H,1H3,(H,33,34)(H2,35,36,37) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446270
(CHEMBL3109194)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C29H22F4N4O3S/c1-2-41(39,40)22-9-6-17(7-10-22)19-13-23-24(16-35-27(23)34-15-19)18-4-3-5-21(12-18)36-28(38)37-26-14-20(29(31,32)33)8-11-25(26)30/h3-16H,2H2,1H3,(H,34,35)(H2,36,37,38) | PDB
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446268
(CHEMBL3109210)Show SMILES NC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1 Show InChI InChI=1S/C28H19F4N5O2/c29-23-8-7-19(28(30,31)32)12-24(23)37-27(39)36-20-6-2-4-16(10-20)22-14-35-26-21(22)11-18(13-34-26)15-3-1-5-17(9-15)25(33)38/h1-14H,(H2,33,38)(H,34,35)(H2,36,37,39) | PDB
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UniChem
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446273
(CHEMBL3109206)Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C28H22N4O2/c1-18(33)20-9-5-11-23(13-20)31-28(34)32-24-12-6-10-21(14-24)26-17-30-27-25(26)15-22(16-29-27)19-7-3-2-4-8-19/h2-17H,1H3,(H,29,30)(H2,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
Similars
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PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396529
(CHEMBL2171127)Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12 Show InChI InChI=1S/C20H14F2N4OS/c21-13-3-6-16(22)12(7-13)8-17(27)26-14-4-1-11(2-5-14)15-9-28-20-18(15)19(23)24-10-25-20/h1-7,9-10H,8H2,(H,26,27)(H2,23,24,25) | PDB
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UniChem
Similars
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PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50576322
(CHEMBL4859922)Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of human HPGDS assessed as reduction in PGD2 formation using PGH2 as substrate by mass spectrometry |
Citation and Details
Article DOI: 10.1016/j.bmcl.2021.128113
BindingDB Entry DOI: 10.7270/Q2B28047 |
More data for this
Ligand-Target Pair | |
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human)) | BDBM50396530
(CHEMBL2171133)Show SMILES Nc1nccc2scc(-c3ccc4N(CCc4c3)C(=O)Cc3ccccc3)c12 Show InChI InChI=1S/C23H19N3OS/c24-23-22-18(14-28-20(22)8-10-25-23)16-6-7-19-17(13-16)9-11-26(19)21(27)12-15-4-2-1-3-5-15/h1-8,10,13-14H,9,11-12H2,(H2,24,25) | PDB
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PDB
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| PDB
Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of GST tagged PERK cytoplasmic domain mediated EIF2alpha phosphorylation |
J Med Chem 55: 7193-207 (2012)
Article DOI: 10.1021/jm300713s
BindingDB Entry DOI: 10.7270/Q2222VWP |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446277
(CHEMBL3108785)Show SMILES Cc1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C27H22N4O/c1-18-7-5-11-22(13-18)30-27(32)31-23-12-6-10-20(14-23)25-17-29-26-24(25)15-21(16-28-26)19-8-3-2-4-9-19/h2-17H,1H3,(H,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM15003
(3-(4-{4-aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[...)Show SMILES Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C20H13F4N5O2/c21-14-6-3-11(20(22,23)24)7-15(14)29-19(30)28-12-4-1-10(2-5-12)13-8-31-18-16(13)17(25)26-9-27-18/h1-9H,(H2,25,26,27)(H2,28,29,30) | PDB
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MCE
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 |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446256
(CHEMBL3109196)Show SMILES Nc1nccc2c(cccc12)-c1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1 Show InChI InChI=1S/C23H16F4N4O/c24-19-9-6-14(23(25,26)27)12-20(19)31-22(32)30-15-7-4-13(5-8-15)16-2-1-3-18-17(16)10-11-29-21(18)28/h1-12H,(H2,28,29)(H2,30,31,32) | PDB
UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446273
(CHEMBL3109206)Show SMILES CC(=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C28H22N4O2/c1-18(33)20-9-5-11-23(13-20)31-28(34)32-24-12-6-10-21(14-24)26-17-30-27-25(26)15-22(16-29-27)19-7-3-2-4-8-19/h2-17H,1H3,(H,29,30)(H2,31,32,34) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446276
(CHEMBL3109203)Show SMILES [O-][N+](=O)c1cccc(NC(=O)Nc2cccc(c2)-c2c[nH]c3ncc(cc23)-c2ccccc2)c1 Show InChI InChI=1S/C26H19N5O3/c32-26(30-21-10-5-11-22(14-21)31(33)34)29-20-9-4-8-18(12-20)24-16-28-25-23(24)13-19(15-27-25)17-6-2-1-3-7-17/h1-16H,(H,27,28)(H2,29,30,32) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human N-terminal His-GST-TEV-fused RIP1 kinase domain (1 to 375) autophosphorylation expressed in baculovirus infected insect Sf9 cells... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50446264
(CHEMBL3109214)Show SMILES Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1cn[nH]c1)C(F)(F)F Show InChI InChI=1S/C24H16F4N6O/c25-20-5-4-16(24(26,27)28)8-21(20)34-23(35)33-17-3-1-2-13(6-17)19-12-30-22-18(19)7-14(9-29-22)15-10-31-32-11-15/h1-12H,(H,29,30)(H,31,32)(H2,33,34,35) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-4-pyrimidinyl}amino)propyl]amino}-2-oxoethyl)-... |
ACS Med Chem Lett 4: 1238-43 (2013)
Article DOI: 10.1021/ml400382p
BindingDB Entry DOI: 10.7270/Q2C24XW2 |
More data for this
Ligand-Target Pair | |
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