Found 102 hits with Last Name = 'casillas' and Initial = 'ln' 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 |
|---|
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467989
(CHEMBL4282034)Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human full-length FLAG/His-tagged RIP2 measured after 2 hrs by ADP-Glo luminescence assay |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
UniProtKB/TrEMBL
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to rat RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measured... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
UniProtKB/TrEMBL
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of rat RIPK2 preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measured after 10 m... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467979
(CHEMBL4285837)Show SMILES CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2S/c1-7-14-10-17-15(11-18(14)27(25,26)20(4,5)6)16(8-9-21-17)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467986
(CHEMBL4289904)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C20H26N4O4S/c1-12-13(2)23-24-19(12)22-15-6-7-21-16-11-17(28-9-8-25)18(10-14(15)16)29(26,27)20(3,4)5/h6-7,10-11,25H,8-9H2,1-5H3,(H2,21,22,23,24) | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467980
(CHEMBL4292228)Show SMILES COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) | PDB
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| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
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| PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
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| PDB
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PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516676
(CHEMBL4473105)Show SMILES COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H20N4O3S2/c1-20(2,3)29(25,26)18-8-13-14(9-16(18)27-4)21-10-22-19(13)24-12-5-6-17-15(7-12)23-11-28-17/h5-11H,1-4H3,(H,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
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| PC cid
PC sid
UniChem
| Article
PubMed
| 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 fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measur... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | 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 NOD2 expressed in HEK293 cells assessed as reduction in MDP-induced IL8 production measured after 22 hrs by HTRF fluorescence ass... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467980
(CHEMBL4292228)Show SMILES COCCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C21H28N4O4S/c1-13-14(2)24-25-20(13)23-16-7-8-22-17-12-18(29-10-9-28-6)19(11-15(16)17)30(26,27)21(3,4)5/h7-8,11-12H,9-10H2,1-6H3,(H2,22,23,24,25) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of fluorescent-labelled ligand binding to human RIP2K preincubated for 10 mins followed by fluorescent-labelled ligand addition and measur... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184479
(CHEMBL3822791)Show InChI InChI=1S/C17H13N3O2S2/c1-24(21,22)12-3-4-14-13(9-12)15(6-7-18-14)20-11-2-5-17-16(8-11)19-10-23-17/h2-10H,1H3,(H,18,20) | PDB
UniProtKB/SwissProt
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UniChem
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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
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467982
(CHEMBL4281602)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C19H21F3N4O3S/c1-10-11(2)25-26-17(10)24-13-6-7-23-14-9-15(29-19(20,21)22)16(8-12(13)14)30(27,28)18(3,4)5/h6-9H,1-5H3,(H2,23,24,25,26) | PDB
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
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 full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467988
(CHEMBL4285462)Show SMILES Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22) | PDB
UniProtKB/SwissProt
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| PC cid
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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 full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184727
(CHEMBL3822938)Show InChI InChI=1S/C17H13F3N2O/c1-10-2-4-12(23)9-16(10)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25195
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)Show InChI InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184764
(CHEMBL3822577)Show SMILES CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C19H17FN4O2S/c1-11(2)27(25,26)13-4-6-16-14(10-13)17(7-8-21-16)22-19-15-9-12(20)3-5-18(15)23-24-19/h3-11H,1-2H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Nucleotide-binding oligomerization domain-containing protein 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of NOD2 in human monocytes assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulation a... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Rattus norvegicus) | BDBM50467984
(CHEMBL4293287)Show SMILES COc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C19H24N4O3S/c1-11-12(2)22-23-18(11)21-14-7-8-20-15-10-16(26-6)17(9-13(14)15)27(24,25)19(3,4)5/h7-10H,1-6H3,(H2,20,21,22,23) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in rat whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measure... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467986
(CHEMBL4289904)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OCCO)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C20H26N4O4S/c1-12-13(2)23-24-19(12)22-15-6-7-21-16-11-17(28-9-8-25)18(10-14(15)16)29(26,27)20(3,4)5/h6-7,10-11,25H,8-9H2,1-5H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 3
(Homo sapiens (Human)) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK3 (unknown origin) preincubated for 10 mins followed by addition of fluorescent-labeled 2-Methyl-5-(2-propen-l-yloxy)aniline measur... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184725
(CHEMBL3824056)Show SMILES Cc1ccc(O)cc1Nc1ccnc2ccc(cc12)C(=O)NCC1CCOCC1 Show InChI InChI=1S/C23H25N3O3/c1-15-2-4-18(27)13-22(15)26-21-6-9-24-20-5-3-17(12-19(20)21)23(28)25-14-16-7-10-29-11-8-16/h2-6,9,12-13,16,27H,7-8,10-11,14H2,1H3,(H,24,26)(H,25,28) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516677
(CHEMBL4514780)Show SMILES CC(C)(C)S(=O)(=O)c1cc2c(Nc3ccc4scnc4c3)ncnc2cc1OCCO Show InChI InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulatio... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467989
(CHEMBL4282034)Show SMILES CCOc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O3S/c1-7-27-17-11-16-14(10-18(17)28(25,26)20(4,5)6)15(8-9-21-16)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184548
(CHEMBL3822754)Show SMILES CS(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C17H13FN4O2S/c1-25(23,24)11-3-5-14-12(9-11)15(6-7-19-14)20-17-13-8-10(18)2-4-16(13)21-22-17/h2-9H,1H3,(H2,19,20,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184478
(CHEMBL3823809)Show SMILES CS(=O)(=O)c1ccc2nccc(Nc3ccc4[nH]nnc4c3)c2c1 Show InChI InChI=1S/C16H13N5O2S/c1-24(22,23)11-3-5-13-12(9-11)14(6-7-17-13)18-10-2-4-15-16(8-10)20-21-19-15/h2-9H,1H3,(H,17,18)(H,19,20,21) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467981
(CHEMBL4278565)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ncc(F)cc34)c2c1 Show InChI InChI=1S/C19H18FN5O2S/c1-19(2,3)28(26,27)12-4-5-15-13(9-12)16(6-7-21-15)23-18-14-8-11(20)10-22-17(14)24-25-18/h4-10H,1-3H3,(H2,21,22,23,24,25) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467988
(CHEMBL4285462)Show SMILES Cc1[nH]nc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C18H22N4O2S/c1-11-12(2)21-22-17(11)20-16-8-9-19-15-7-6-13(10-14(15)16)25(23,24)18(3,4)5/h6-10H,1-5H3,(H2,19,20,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50184727
(CHEMBL3822938)Show InChI InChI=1S/C17H13F3N2O/c1-10-2-4-12(23)9-16(10)22-15-6-7-21-14-5-3-11(8-13(14)15)17(18,19)20/h2-9,23H,1H3,(H,21,22) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2(unknown origin) |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467985
(CHEMBL4283104)Show SMILES Cc1cc(Nc2ccnc3ccc(cc23)S(=O)(=O)C(C)(C)C)n[nH]1 Show InChI InChI=1S/C17H20N4O2S/c1-11-9-16(21-20-11)19-15-7-8-18-14-6-5-12(10-13(14)15)24(22,23)17(2,3)4/h5-10H,1-4H3,(H2,18,19,20,21) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of full length His/flag-tagged RIPK2 (unknown origin) expressed in baculovirus expression system using fluorescently labeled substrate inc... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467979
(CHEMBL4285837)Show SMILES CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2S/c1-7-14-10-17-15(11-18(14)27(25,26)20(4,5)6)16(8-9-21-17)22-19-12(2)13(3)23-24-19/h8-11H,7H2,1-6H3,(H2,21,22,23,24) | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2(unknown origin) |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184765
(CHEMBL3823499)Show SMILES CC(C)(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-20(2,3)28(26,27)13-5-7-16-14(11-13)17(8-9-22-16)23-19-15-10-12(21)4-6-18(15)24-25-19/h4-11H,1-3H3,(H2,22,23,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 237 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184726
(CHEMBL3823527)Show InChI InChI=1S/C17H16N2O2/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(21-2)10-14(15)16/h3-10,20H,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50045333
(CHEBI:90705 | SB-203580)Show SMILES C[S+]([O-])c1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(F)cc1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 251 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) expressed in baculovirus expression system preincubated for 10 mins foll... |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50184477
(CHEMBL3822979)Show SMILES CNc1cc(Oc2c(F)cc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2F)ccn1 Show InChI InChI=1S/C20H15F5N4O2/c1-26-17-10-14(5-6-27-17)31-18-15(21)8-13(9-16(18)22)29-19(30)28-12-4-2-3-11(7-12)20(23,24)25/h2-10H,1H3,(H,26,27)(H2,28,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIP2K in MDP-stimulated HEK-293 cells over-expressing NOD2 assessed as IL8 secretion |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50516676
(CHEMBL4473105)Show SMILES COc1cc2ncnc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C Show InChI InChI=1S/C20H20N4O3S2/c1-20(2,3)29(25,26)18-8-13-14(9-16(18)27-4)21-10-22-19(13)24-12-5-6-17-15(7-12)23-11-28-17/h5-11H,1-4H3,(H,21,22,24) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 374 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-induced TNFalpha production preincubated for 30 mins followed by MDP-stimulatio... |
J Med Chem 62: 6482-6494 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00575
BindingDB Entry DOI: 10.7270/Q2WS8XKF |
More data for this
Ligand-Target Pair | |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50467982
(CHEMBL4281602)Show SMILES Cc1[nH]nc(Nc2ccnc3cc(OC(F)(F)F)c(cc23)S(=O)(=O)C(C)(C)C)c1C Show InChI InChI=1S/C19H21F3N4O3S/c1-10-11(2)25-26-17(10)24-13-6-7-23-14-9-15(29-19(20,21)22)16(8-12(13)14)30(27,28)18(3,4)5/h6-9H,1-5H3,(H2,23,24,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 446 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of RIPK2 in human whole blood assessed as reduction in MDP-stimulated TNFalpha levels incubated for 30 mins followed by MDP addition measu... |
ACS Med Chem Lett 9: 1039-1044 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00344
BindingDB Entry DOI: 10.7270/Q25D8VJV |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM25195
(4-methyl-3-{[6-(pyridin-3-yl)quinolin-4-yl]amino}p...)Show InChI InChI=1S/C21H17N3O/c1-14-4-6-17(25)12-21(14)24-20-8-10-23-19-7-5-15(11-18(19)20)16-3-2-9-22-13-16/h2-13,25H,1H3,(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2(unknown origin) |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM25198
(3-[(6-methanesulfonylquinolin-4-yl)amino]-4-methyl...)Show InChI InChI=1S/C17H16N2O3S/c1-11-3-4-12(20)9-17(11)19-16-7-8-18-15-6-5-13(10-14(15)16)23(2,21)22/h3-10,20H,1-2H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
Patents
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of p38alpha (unknown origin) |
J Med Chem 59: 4867-80 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00211
BindingDB Entry DOI: 10.7270/Q2G162SQ |
More data for this
Ligand-Target Pair | |
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