Found 118 hits with Last Name = 'donovan' and Initial = 'bt' 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 |
|---|
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306154
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r| Show InChI InChI=1S/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306165
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306156
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306165
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306155
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306158
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306164
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306164
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306157
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306163
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
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
AffyNet
| 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 | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306157
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306163
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306156
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
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)) | 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
AffyNet
| 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
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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 | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306160
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r| Show InChI InChI=1S/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/m0/s1 | PDB
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GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306158
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1 | PDB
MMDB
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KEGG
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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
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306155
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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 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 | 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 | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306161
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1 | PDB
MMDB
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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 AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306161
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1 | 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 AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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
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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)) | 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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| 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306164
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C#N)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H25N9O2/c1-14-25-28(37-36-14)32-12-23(34-25)20-10-24(27(31)35-26(20)17-7-8-38-15(17)2)39-13-16(30)9-19-18-5-3-4-6-21(18)33-22(19)11-29/h3-8,10,12,16,33H,9,13,30H2,1-2H3,(H2,31,35)(H,32,36,37)/t16-/m0/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306160
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r| Show InChI InChI=1S/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| 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 AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-alpha serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306159
((S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r| Show InChI InChI=1S/C27H22N8O2/c1-15-25-27(35-34-15)31-12-23(33-25)20-9-24(22(10-28)32-26(20)16-6-7-36-13-16)37-14-18(29)8-17-11-30-21-5-3-2-4-19(17)21/h2-7,9,11-13,18,30H,8,14,29H2,1H3,(H,31,34,35)/t18-/m0/s1 | 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 AKT1 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306163
(3-((S)-2-amino-3-(2-chloro-1H-indol-3-yl)propoxy)-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c(Cl)[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H25ClN8O2/c1-13-23-27(36-35-13)31-11-21(32-23)19-10-22(26(30)34-24(19)16-7-8-37-14(16)2)38-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)28/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,34)(H,31,35,36)/t15-/m0/s1 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306158
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2cnc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-21-10-24(32-13-25(21)35-34-15)22-11-26(28(30)33-27(22)19-7-8-36-16(19)2)37-14-18(29)9-17-12-31-23-6-4-3-5-20(17)23/h3-8,10-13,18,31H,9,14,29H2,1-2H3,(H2,30,33)(H,34,35)/t18-/m0/s1 | 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
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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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| 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 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306156
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N7O2/c1-15-22-10-18(13-32-28(22)35-34-15)23-11-25(27(30)33-26(23)20-7-8-36-16(20)2)37-14-19(29)9-17-12-31-24-6-4-3-5-21(17)24/h3-8,10-13,19,31H,9,14,29H2,1-2H3,(H2,30,33)(H,32,34,35)/t19-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306155
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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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| n/a | n/a | 15 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306165
(3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c([nH]c3ccccc23)C(N)=O)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C28H27N9O3/c1-13-23-28(37-36-13)32-11-21(34-23)19-10-22(26(30)35-24(19)16-7-8-39-14(16)2)40-12-15(29)9-18-17-5-3-4-6-20(17)33-25(18)27(31)38/h3-8,10-11,15,33H,9,12,29H2,1-2H3,(H2,30,35)(H2,31,38)(H,32,36,37)/t15-/m0/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-gamma serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306159
((S)-3-(2-amino-3-(1H-indol-3-yl)propoxy)-6-(furan-...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(nc1-c1ccoc1)C#N |r| Show InChI InChI=1S/C27H22N8O2/c1-15-25-27(35-34-15)31-12-23(33-25)20-9-24(22(10-28)32-26(20)16-6-7-36-13-16)37-14-18(29)8-17-11-30-21-5-3-2-4-19(17)21/h2-7,9,11-13,18,30H,8,14,29H2,1H3,(H,31,34,35)/t18-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT3 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306157
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C27H26N8O2/c1-14-24-27(35-34-14)31-12-22(32-24)20-10-23(26(29)33-25(20)18-7-8-36-15(18)2)37-13-17(28)9-16-11-30-21-6-4-3-5-19(16)21/h3-8,10-12,17,30H,9,13,28H2,1-2H3,(H2,29,33)(H,31,34,35)/t17-/m0/s1 | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306154
((2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)cnc1-c1ccoc1C |r| Show InChI InChI=1S/C27H25N7O2/c1-15-25-27(34-33-15)31-13-24(32-25)22-10-19(12-30-26(22)20-7-8-35-16(20)2)36-14-18(28)9-17-11-29-23-6-4-3-5-21(17)23/h3-8,10-13,18,29H,9,14,28H2,1-2H3,(H,31,33,34)/t18-/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Escherichia coli (strain K12)) | BDBM50510295
(CHEMBL4443422)Show SMILES Cc1sc(cc1C(=O)N[C@@H](CN)c1ccccc1)-c1ccccc1Cl |r| Show InChI InChI=1S/C20H19ClN2OS/c1-13-16(11-19(25-13)15-9-5-6-10-17(15)21)20(24)23-18(12-22)14-7-3-2-4-8-14/h2-11,18H,12,22H2,1H3,(H,23,24)/t18-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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| PC cid
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PDB
UniChem
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi... |
Bioorg Med Chem Lett 29: 1407-1412 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ |
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
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| n/a | n/a | 41 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306160
((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1 |r| Show InChI InChI=1S/C27H25N7O2/c1-15-24(36-14-19(28)9-18-11-29-22-6-4-3-5-20(18)22)10-21(26(31-15)17-7-8-35-13-17)23-12-30-27-25(32-23)16(2)33-34-27/h3-8,10-13,19,29H,9,14,28H2,1-2H3,(H,30,33,34)/t19-/m0/s1 | PDB
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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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| n/a | n/a | 79 | 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
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| PC cid
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| n/a | n/a | 100 | 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 | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50306155
(3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-meth...)Show SMILES Cc1n[nH]c2ccc(cc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C29H28N6O2/c1-16-23-12-18(7-8-26(23)35-34-16)24-13-27(29(31)33-28(24)21-9-10-36-17(21)2)37-15-20(30)11-19-14-32-25-6-4-3-5-22(19)25/h3-10,12-14,20,32H,11,15,30H2,1-2H3,(H2,31,33)(H,34,35)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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
UniProtKB/SwissProt
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| n/a | n/a | 126 | 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 | |
RAC-beta serine/threonine-protein kinase
(Homo sapiens (Human)) | BDBM50306161
(3-((S)-2-amino-3-phenylpropoxy)-5-(3-methyl-1H-pyr...)Show SMILES Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2ccccc2)c(N)nc1-c1ccoc1C |r| Show InChI InChI=1S/C25H25N7O2/c1-14-22-25(32-31-14)28-12-20(29-22)19-11-21(24(27)30-23(19)18-8-9-33-15(18)2)34-13-17(26)10-16-6-4-3-5-7-16/h3-9,11-12,17H,10,13,26H2,1-2H3,(H2,27,30)(H,28,31,32)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human AKT2 |
Bioorg Med Chem Lett 20: 684-8 (2010)
Article DOI: 10.1016/j.bmcl.2009.11.061
BindingDB Entry DOI: 10.7270/Q20V8CXX |
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
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 154 | 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 | |
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