Found 672 hits with Last Name = 'terstiege' and Initial = 'i' 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 |
|---|
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50599226
(CHEMBL5201062 | US11866405, Example 100)Show SMILES CO[C@H]1C[C@@H](C1)Oc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)C1CCC2(CN(C2)C(C)=O)CC1 |r,wU:4.6,wD:2.1,(5.55,-5.49,;4.22,-4.72,;4.22,-3.18,;5.31,-2.09,;4.2,-.98,;3.11,-2.07,;4.2,.56,;2.87,1.33,;1.54,.57,;.21,1.32,;-1.25,.85,;-2.16,2.09,;-1.25,3.34,;.21,2.86,;1.54,3.63,;2.87,2.87,;4.2,3.64,;4.2,5.18,;5.53,2.87,;6.87,3.64,;7.03,5.17,;8.53,5.49,;9.3,4.15,;10.81,3.83,;11.28,2.37,;10.25,1.22,;8.75,1.54,;8.27,3.01,;-3.7,2.09,;-4.47,.76,;-6.01,.76,;-6.78,2.09,;-7.88,.99,;-8.97,2.08,;-7.87,3.18,;-10.51,2.08,;-11.28,.74,;-11.28,3.41,;-6.01,3.43,;-4.47,3.43,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50599222
(CHEMBL5190644 | US11866405, Example 12)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CCC(=O)N2C)CC1 |r,wU:23.26,26.30,(3.8,-3.23,;3.8,-1.69,;2.46,-.92,;1.14,-1.69,;-.19,-.93,;-1.65,-1.41,;-2.56,-.16,;-1.65,1.09,;-.19,.61,;1.14,1.38,;2.46,.61,;3.8,1.38,;3.8,2.92,;5.13,.61,;6.47,1.38,;6.63,2.91,;8.13,3.23,;8.9,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.87,.76,;-4.1,-.16,;-4.87,-1.49,;-6.41,-1.49,;-7.18,-.16,;-8.09,-1.4,;-9.55,-.93,;-9.55,.61,;-10.89,1.38,;-8.09,1.09,;-7.69,2.57,;-6.41,1.18,;-4.87,1.18,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50599223
(CHEMBL5202941 | US11866405, Example 23)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(C)=O |r,wU:26.33,wD:23.26,(3.87,-3.23,;3.87,-1.69,;2.54,-.92,;1.22,-1.69,;-.12,-.93,;-1.58,-1.41,;-2.49,-.16,;-1.58,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.87,1.38,;3.87,2.92,;5.2,.61,;6.54,1.38,;6.7,2.91,;8.21,3.23,;8.97,1.9,;10.48,1.58,;10.96,.12,;9.93,-1.03,;8.42,-.71,;7.94,.76,;-4.03,-.16,;-4.8,1.17,;-6.34,1.17,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.17,;-9.42,-1.49,;-10.96,-1.49,;-8.65,-2.83,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643825
(US11866405, Example 95)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@@H](C)OC(C)=O |r,wU:26.33,wD:33.38,23.26,(5.42,-2.78,;5.42,-1.24,;4.08,-.47,;2.75,-1.24,;1.42,-.47,;-.05,-.94,;-.95,.3,;-.05,1.55,;1.42,1.07,;2.75,1.84,;4.08,1.07,;5.42,1.84,;5.42,3.38,;6.75,1.07,;8.08,1.84,;8.25,3.38,;9.75,3.7,;10.52,2.36,;12.03,2.04,;12.5,.58,;11.47,-.57,;9.97,-.25,;9.49,1.22,;-2.49,.3,;-3.26,1.64,;-4.8,1.64,;-5.57,.3,;-4.8,-1.03,;-3.26,-1.03,;-7.11,.3,;-7.88,1.64,;-7.88,-1.03,;-7.11,-2.36,;-9.42,-1.03,;-10.19,.3,;-10.19,-2.36,;-11.73,-2.36,;-12.5,-3.7,;-12.5,-1.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643809
(US11866405, Example 87)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.13,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.13,1.38,;2.47,.61,;3.8,1.38,;3.9,2.93,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.41,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.58,;-9.56,-.93,;-10.89,-1.89,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643867
(US11866405, Example 116)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@H](O)C1 |r,wU:26.33,wD:23.26,36.41,(5.68,-3.24,;5.68,-1.7,;4.35,-.93,;3.02,-1.7,;1.68,-.93,;.22,-1.4,;-.69,-.16,;.22,1.09,;1.68,.61,;3.02,1.38,;4.35,.61,;5.68,1.38,;5.68,2.92,;7.02,.61,;8.35,1.38,;8.51,2.92,;10.02,3.24,;10.79,1.9,;12.3,1.58,;12.77,.12,;11.74,-1.03,;10.23,-.71,;9.76,.76,;-2.23,-.16,;-3,1.18,;-4.54,1.18,;-5.31,-.16,;-4.54,-1.49,;-3,-1.49,;-6.85,-.16,;-7.62,1.18,;-7.62,-1.49,;-6.85,-2.82,;-9.16,-1.49,;-10.06,-2.74,;-11.53,-2.26,;-11.53,-.72,;-12.77,.19,;-10.06,-.24,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50599227
(CHEMBL5204583 | US11866405, Example 117)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)N1CC[C@@H](O)C1 |r,wU:26.33,36.41,wD:23.26,(5.72,-3.23,;5.72,-1.69,;4.39,-.92,;3.07,-1.69,;1.74,-.93,;.27,-1.41,;-.63,-.16,;.27,1.09,;1.74,.61,;3.07,1.38,;4.39,.61,;5.72,1.38,;5.72,2.92,;7.06,.61,;8.39,1.38,;8.55,2.91,;10.06,3.23,;10.83,1.9,;12.34,1.58,;12.81,.12,;11.78,-1.03,;10.28,-.71,;9.8,.76,;-2.18,-.16,;-2.95,1.18,;-4.49,1.18,;-5.26,-.16,;-4.49,-1.49,;-2.95,-1.49,;-6.8,-.16,;-7.57,1.18,;-7.57,-1.49,;-6.8,-2.83,;-9.11,-1.49,;-10.01,-2.74,;-11.48,-2.26,;-11.48,-.72,;-12.81,.05,;-10.01,-.25,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643875
(US11866405, Example 120 | US11866405, Example 121 ...)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@]2(CCC(=O)N2C)C[C@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643834
(US11866405, Example 37)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@H](C[C@H]1C)N(C)C(C)=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643785
(US11866405, Example 75)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(COC(=O)N2C)CC1 |r,wU:23.26,wD:26.35,(3.76,1.74,;3.76,3.28,;2.43,4.05,;1.09,3.28,;-.24,4.05,;-1.71,3.57,;-2.61,4.82,;-1.71,6.06,;-.24,5.59,;1.09,6.36,;2.43,5.59,;3.76,6.36,;3.76,7.9,;5.09,5.59,;6.43,6.36,;6.59,7.89,;8.09,8.21,;8.86,6.87,;10.37,6.55,;10.85,5.09,;9.82,3.95,;8.31,4.26,;7.83,5.73,;-4.15,4.82,;-4.92,3.48,;-6.46,3.48,;-7.23,4.82,;-8.14,6.06,;-9.6,5.59,;-9.6,4.05,;-10.85,3.14,;-8.14,3.57,;-7.66,2.11,;-6.46,6.15,;-4.92,6.15,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643820
(US11866405, Example 30 | US11866405, Example 31)Show SMILES C[C@H]1C[C@@]2(CN(C2)C(C)=O)CC[C@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643823
(US11866405, Example 94)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)N(C)C(=O)[C@H](C)O |wU:23.26,wD:26.33,33.39,(-2.39,-3.51,;-2.87,-4.97,;-1.84,-6.12,;-2.31,-7.58,;-1.28,-8.73,;-1.45,-10.26,;-.04,-10.89,;.99,-9.74,;.22,-8.41,;.7,-6.94,;-.33,-5.8,;.14,-4.33,;-.89,-3.19,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;.28,-12.39,;1.75,-12.87,;2.07,-14.37,;.92,-15.4,;-.54,-14.93,;-.86,-13.42,;1.24,-16.91,;2.71,-17.39,;.1,-17.94,;-1.37,-17.47,;.42,-19.45,;1.88,-19.92,;-.73,-20.48,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643768
(US11866405, Example 4)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)C(=O)N(C)C |r,wU:26.33,wD:23.26,(3.88,-3.24,;3.88,-1.7,;2.54,-.93,;1.21,-1.7,;-.12,-.93,;-1.59,-1.4,;-2.49,-.16,;-1.59,1.09,;-.12,.61,;1.21,1.38,;2.54,.61,;3.88,1.38,;3.88,2.92,;5.21,.61,;6.54,1.38,;6.71,2.92,;8.21,3.24,;8.98,1.9,;10.49,1.58,;10.96,.12,;9.93,-1.03,;8.43,-.71,;7.95,.76,;-4.03,-.16,;-4.8,1.18,;-6.34,1.18,;-7.11,-.16,;-6.34,-1.49,;-4.8,-1.49,;-8.65,-.16,;-9.42,1.18,;-9.42,-1.49,;-8.65,-2.82,;-10.96,-1.49,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239559
(CHEMBL4073594)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r| Show InChI InChI=1S/C21H18N6OS/c1-12-10-29-17-8-15(13(2)26-20-16(9-22)19(23)24-11-25-20)18(21(28)27(12)17)14-6-4-3-5-7-14/h3-8,10-11,13H,1-2H3,(H3,23,24,25,26)/t13-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239550
(CHEMBL4060741)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r| Show InChI InChI=1S/C35H39N7O2S/c1-24-22-45-32-19-29(25(2)41-34-31(20-36)33(37)39-23-40-34)30(35(43)42(24)32)18-27-11-8-12-28(17-27)21-38-14-6-7-15-44-16-13-26-9-4-3-5-10-26/h3-5,8-12,17,19,22-23,25,38H,6-7,13-16,18,21H2,1-2H3,(H3,37,39,40,41)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.398 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643849
(US11866405, Example 107 | US11866405, Example 108)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@@H](O)[C@@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643775
(US11866405, Example 70)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@@]2(CN(C)C(=O)C2)C[C@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643837
(US11866405, Example 101)Show SMILES CO[C@H]1C[C@H](C1)Oc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)C1CCC2(CN(C2)C(C)=O)CC1 |r,wU:4.6,2.1,(5.53,-5.48,;4.2,-4.71,;4.2,-3.17,;3.11,-2.08,;4.2,-.99,;5.28,-2.08,;4.2,.55,;2.86,1.32,;1.53,.55,;.19,1.32,;-1.27,.84,;-2.17,2.09,;-1.27,3.33,;.19,2.86,;1.53,3.63,;2.86,2.86,;4.2,3.63,;4.2,5.17,;5.53,2.86,;6.86,3.63,;7.02,5.16,;8.53,5.48,;9.3,4.15,;10.81,3.83,;11.28,2.36,;10.25,1.22,;8.75,1.54,;8.27,3,;-3.71,2.09,;-4.48,.75,;-6.02,.75,;-6.79,2.09,;-7.88,3.18,;-8.97,2.09,;-7.88,1,;-10.51,2.09,;-11.28,.75,;-11.28,3.42,;-6.02,3.42,;-4.48,3.42,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643803
(US11866405, Example 84)Show SMILES O[C@H]1CC[C@@H](CC1)n1cc2cc(C(=O)Nc3cnc4cccnn34)c(OC3CC3)cc2n1 |r,wU:1.0,wD:4.7,(-9.82,.55,;-8.28,.58,;-7.51,1.91,;-5.97,1.91,;-5.2,.58,;-5.97,-.75,;-7.51,-.75,;-3.66,.53,;-2.75,1.77,;-1.29,1.3,;.05,2.07,;1.38,1.3,;2.74,2.02,;2.79,3.56,;4.08,1.25,;5.4,2.05,;5.56,3.58,;7.06,3.9,;7.83,2.56,;9.34,2.24,;9.82,.78,;8.79,-.36,;7.28,-.04,;6.8,1.42,;1.38,-.24,;2.71,-1.02,;2.71,-2.56,;1.94,-3.9,;3.48,-3.9,;.05,-1.01,;-1.29,-.24,;-2.75,-.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643821
(US11866405, Example 93)Show SMILES COC1=CC(=N)\C(=C/N[C@@H]2CC[C@@](C)(O)C[C@@H]2C)C=C1C(=O)Nc1cnc2cccnn12 |r,c:19,t:2| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643779
(US11866405, Example 72)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@]2(CN(C)C(=O)C2)C[C@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643854
(US11866405, Example 47)Show SMILES OC1C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wD:7.11,3.3,(-10.67,-7.73,;-9.58,-6.64,;-8.49,-7.73,;-7.41,-6.64,;-8.49,-5.55,;-6.64,-5.31,;-5.1,-5.31,;-4.33,-6.64,;-5.1,-7.97,;-6.64,-7.97,;-2.79,-6.64,;-1.88,-5.39,;-.42,-5.87,;.92,-5.1,;2.25,-5.87,;3.59,-5.1,;3.59,-3.56,;4.92,-5.87,;6.25,-5.1,;6.41,-3.57,;7.92,-3.25,;8.69,-4.58,;10.2,-4.9,;10.67,-6.37,;9.64,-7.51,;8.14,-7.19,;7.66,-5.73,;2.25,-7.41,;3.59,-8.18,;3.59,-9.72,;2.82,-11.05,;4.36,-11.05,;.92,-8.18,;-.42,-7.41,;-1.88,-7.89,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643873
(US11866405, Example 119)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@]2(CC1)COCC(=O)N2C |r,wD:23.26,26.39,(3.44,3.31,;3.44,4.85,;2.1,5.62,;.77,4.85,;-.56,5.62,;-2.03,5.14,;-2.93,6.39,;-2.03,7.64,;-.56,7.16,;.77,7.93,;2.1,7.16,;3.44,7.93,;3.44,9.47,;4.77,7.16,;6.11,7.93,;6.11,9.47,;7.57,9.95,;8.48,8.7,;10.01,8.54,;10.63,7.13,;9.73,5.89,;8.2,6.05,;7.57,7.45,;-4.47,6.39,;-5.24,7.72,;-6.78,7.72,;-7.55,6.39,;-6.78,5.06,;-5.24,5.06,;-8.32,7.72,;-9.86,7.72,;-10.63,6.39,;-9.86,5.06,;-10.63,3.72,;-8.32,5.06,;-7.55,3.72,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643763
(US11866405, Example 64 | US11866405, Example 65)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CN(C2)C(C)=O)C[C@@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643816
(US11866405, Example 28 | US11866405, Example 29)Show SMILES C[C@@H]1C[C@@]2(CN(C2)C(C)=O)CC[C@H]1n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643790
(US11866405, Example 15)Show SMILES CC1(O)C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:8.12,wD:4.3,(-10.67,7.99,;-9.58,6.9,;-10.67,5.81,;-8.49,7.99,;-7.41,6.9,;-8.49,5.81,;-6.64,5.56,;-5.1,5.56,;-4.33,6.9,;-5.1,8.23,;-6.64,8.23,;-2.79,6.9,;-1.88,8.14,;-.42,7.67,;.92,8.44,;2.25,7.67,;3.59,8.44,;3.59,9.98,;4.92,7.67,;6.25,8.44,;6.41,9.97,;7.92,10.29,;8.69,8.95,;10.2,8.63,;10.67,7.17,;9.64,6.03,;8.14,6.35,;7.66,7.81,;2.25,6.13,;3.59,5.36,;3.59,3.82,;2.82,2.48,;4.36,2.48,;.92,5.36,;-.42,6.13,;-1.88,5.65,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643773
(US11866405, Example 69)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@]2(CN(C)C(=O)C2)CC1 |r,wU:23.26,wD:26.30,(3.8,-3.24,;3.8,-1.7,;2.47,-.93,;1.14,-1.7,;-.2,-.93,;-1.66,-1.4,;-2.57,-.16,;-1.66,1.09,;-.2,.61,;1.14,1.38,;2.47,.61,;3.8,1.38,;3.8,2.92,;5.14,.61,;6.47,1.38,;6.63,2.92,;8.14,3.24,;8.91,1.9,;10.42,1.58,;10.89,.12,;9.86,-1.03,;8.35,-.71,;7.88,.76,;-4.11,-.16,;-4.88,-1.49,;-6.42,-1.49,;-7.19,-.16,;-8.09,1.09,;-9.56,.61,;-10.89,1.38,;-9.56,-.93,;-10.65,-2.01,;-8.09,-1.4,;-6.42,1.18,;-4.88,1.18,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643827
(US11866405, Example 96)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)[C@H]1CC[C@@H](CC1)N(C)C(=O)C1CC1 |r,wU:23.26,wD:26.33,(4.54,-3.24,;4.54,-1.7,;3.21,-.93,;1.88,-1.7,;.54,-.93,;-.92,-1.4,;-1.83,-.16,;-.92,1.09,;.54,.61,;1.88,1.38,;3.21,.61,;4.54,1.38,;4.54,2.92,;5.88,.61,;7.21,1.38,;7.37,2.92,;8.88,3.24,;9.65,1.9,;11.15,1.58,;11.63,.12,;10.6,-1.03,;9.09,-.71,;8.62,.76,;-3.37,-.16,;-4.14,-1.49,;-5.68,-1.49,;-6.45,-.16,;-5.68,1.18,;-4.14,1.18,;-7.99,-.16,;-8.76,1.18,;-8.76,-1.49,;-7.99,-2.82,;-10.3,-1.49,;-11.63,-.72,;-11.63,-2.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643767
(US11866405, Example 66 | US11866405, Example 67)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@@H]1CC[C@]2(CN(C2)C(C)=O)C[C@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643770
(US11866405, Example 5)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC2(C[C@@](C)(O)C2)CC1 |r,wU:23.26,28.33,wD:28.32,(3.59,2.06,;3.59,3.6,;2.25,4.37,;.92,3.6,;-.42,4.37,;-1.88,3.9,;-2.79,5.14,;-1.88,6.39,;-.42,5.91,;.92,6.68,;2.25,5.91,;3.59,6.68,;3.59,8.22,;4.92,5.91,;6.25,6.68,;6.41,8.21,;7.92,8.53,;8.69,7.2,;10.2,6.88,;10.67,5.42,;9.64,4.27,;8.14,4.59,;7.66,6.06,;-4.33,5.14,;-5.1,3.81,;-6.64,3.81,;-7.41,5.14,;-8.49,4.05,;-9.58,5.14,;-10.67,6.23,;-10.67,4.05,;-8.49,6.23,;-6.64,6.48,;-5.1,6.48,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239542
(CHEMBL4069417)Show SMILES CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r| Show InChI InChI=1S/C28H33N7OS/c1-17(2)13-34(5)14-21-8-6-7-20(9-21)10-23-22(11-25-35(28(23)36)18(3)15-37-25)19(4)33-27-24(12-29)26(30)31-16-32-27/h6-9,11,15-17,19H,10,13-14H2,1-5H3,(H3,30,31,32,33)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239549
(CHEMBL4096646)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r| Show InChI InChI=1S/C26H27N7OS/c1-16-14-35-23-11-20(17(2)31-25-22(12-27)24(28)29-15-30-25)21(26(34)33(16)23)10-18-5-3-6-19(9-18)13-32-7-4-8-32/h3,5-6,9,11,14-15,17H,4,7-8,10,13H2,1-2H3,(H3,28,29,30,31)/t17-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239552
(CHEMBL4070433)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN2CCC(CC2)N(C)C)c1 |r| Show InChI InChI=1S/C29H34N8OS/c1-18-16-39-25-13-23(19(2)34-28-24(14-30)27(31)32-17-33-28)26(29(38)37(18)25)21-7-5-6-20(12-21)15-36-10-8-22(9-11-36)35(3)4/h5-7,12-13,16-17,19,22H,8-11,15H2,1-4H3,(H3,31,32,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239540
(CHEMBL4086230)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CN(C)CCCCN(C)Cc2ccccc2)c1 |r| Show InChI InChI=1S/C35H40N8OS/c1-24-22-45-31-18-29(25(2)40-34-30(19-36)33(37)38-23-39-34)32(35(44)43(24)31)28-14-10-13-27(17-28)21-42(4)16-9-8-15-41(3)20-26-11-6-5-7-12-26/h5-7,10-14,17-18,22-23,25H,8-9,15-16,20-21H2,1-4H3,(H3,37,38,39,40)/t25-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643852
(US11866405, Example 46)Show SMILES OC1C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:3.2,wD:7.11,(-10.67,-7.73,;-9.58,-6.64,;-8.49,-5.55,;-7.41,-6.64,;-8.49,-7.73,;-6.64,-5.31,;-5.1,-5.31,;-4.33,-6.64,;-5.1,-7.97,;-6.64,-7.97,;-2.79,-6.64,;-1.88,-5.39,;-.42,-5.87,;.92,-5.1,;2.25,-5.87,;3.59,-5.1,;3.59,-3.56,;4.92,-5.87,;6.25,-5.1,;6.41,-3.57,;7.92,-3.25,;8.69,-4.58,;10.2,-4.9,;10.67,-6.37,;9.64,-7.51,;8.14,-7.19,;7.66,-5.73,;2.25,-7.41,;3.59,-8.18,;3.59,-9.72,;2.82,-11.05,;4.36,-11.05,;.92,-8.18,;-.42,-7.41,;-1.88,-7.89,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643843
(US11866405, Example 104 | US11866405, Example 109)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@@H](O)[C@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643868
(US11866405, Example 54)Show SMILES C[C@@]1(O)CCC[C@@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50612188
(CHEMBL5283628)Show SMILES CN1CCC(CC1)n1cc(Nc2nc(OC3(C)CC3)c3nc(ccc3n2)-c2cncnc2)cn1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50612201
(CHEMBL5270030)Show SMILES CN1CC2(CC(C2)n2cc(Nc3nc(NC4(C)CC4)c4nc(c(F)cc4n3)-c3cnc(C)nc3)cn2)C1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643847
(US11866405, Example 106)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CCC[C@H](O)[C@@H]1C |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50234161
(CHEMBL4091680)Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
Bioorg Med Chem Lett 27: 679-687 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.004
BindingDB Entry DOI: 10.7270/Q2TF00MM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643792
(US11866405, Example 16)Show SMILES CC1(O)C[C@@]2(C1)CC[C@@H](CC2)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r,wU:8.12,4.4,(-10.67,7.99,;-9.58,6.9,;-10.67,5.81,;-8.49,5.81,;-7.41,6.9,;-8.49,7.99,;-6.64,5.56,;-5.1,5.56,;-4.33,6.9,;-5.1,8.23,;-6.64,8.23,;-2.79,6.9,;-1.88,8.14,;-.42,7.67,;.92,8.44,;2.25,7.67,;3.59,8.44,;3.59,9.98,;4.92,7.67,;6.25,8.44,;6.41,9.97,;7.92,10.29,;8.69,8.95,;10.2,8.63,;10.67,7.17,;9.64,6.03,;8.14,6.35,;7.66,7.81,;2.25,6.13,;3.59,5.36,;3.59,3.82,;2.82,2.48,;4.36,2.48,;.92,5.36,;-.42,6.13,;-1.88,5.65,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643796
(US11866405, Example 18 | US11866405, Example 19)Show SMILES O[C@H]1CCC[C@@H](C1)n1cc2cc(C(=O)Nc3cnn4cccnc34)c(OC3CC3)cc2n1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643831
(US11866405, Example 98)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnn2cccnc12)C1CC[C@@H](CC1)N(C)C(=O)[C@@H]1C[C@H](O)C1 |r,wU:33.37,35.40,wD:26.33,(5.74,-3.24,;5.74,-1.7,;4.4,-.93,;3.07,-1.7,;1.73,-.93,;.27,-1.4,;-.63,-.16,;.27,1.09,;1.73,.61,;3.07,1.38,;4.4,.61,;5.74,1.38,;5.74,2.92,;7.07,.61,;8.4,1.38,;8.56,2.92,;10.07,3.24,;10.84,1.9,;12.35,1.58,;12.82,.12,;11.79,-1.03,;10.29,-.71,;9.81,.76,;-2.17,-.16,;-2.95,-1.49,;-4.49,-1.49,;-5.25,-.16,;-4.49,1.18,;-2.95,1.18,;-6.79,-.16,;-7.57,1.18,;-7.57,-1.49,;-6.79,-2.82,;-9.11,-1.49,;-10.19,-.4,;-11.28,-1.49,;-12.82,-1.49,;-10.19,-2.58,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM643841
(US11866405, Example 103)Show SMILES COc1cc2nn(cc2cc1C(=O)Nc1cnc2cccnn12)[C@H]1CC[C@@H](CC1)n1nccn1 |r,wU:26.33,wD:23.26,(3.91,-3.24,;3.91,-1.7,;2.57,-.93,;1.24,-1.7,;-.09,-.93,;-1.56,-1.4,;-2.46,-.16,;-1.56,1.09,;-.09,.61,;1.24,1.38,;2.57,.61,;3.91,1.38,;3.91,2.92,;5.24,.61,;6.57,1.38,;6.74,2.92,;8.24,3.24,;9.01,1.9,;10.52,1.58,;10.99,.12,;9.96,-1.03,;8.46,-.71,;7.98,.76,;-4,-.16,;-4.77,1.18,;-6.31,1.18,;-7.08,-.16,;-6.31,-1.49,;-4.77,-1.49,;-8.62,-.16,;-9.53,1.09,;-10.99,.61,;-10.99,-.93,;-9.53,-1.4,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50234157
(CHEMBL4089227)Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C22H24N8O/c1-21(2,3)20-28-27-18(31-20)15-16(23)24-12-14(25-15)17-26-19(30(4)29-17)22(10-11-22)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H2,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
Bioorg Med Chem Lett 27: 679-687 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.004
BindingDB Entry DOI: 10.7270/Q2TF00MM |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50234161
(CHEMBL4091680)Show SMILES Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C23H21N7O/c1-30-22(23(11-12-23)16-5-3-2-4-6-16)28-21(29-30)17-13-26-19(24)18(27-17)14-7-9-15(10-8-14)20(25)31/h2-10,13H,11-12H2,1H3,(H2,24,26)(H2,25,31) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
Bioorg Med Chem Lett 27: 679-687 (2017)
Article DOI: 10.1016/j.bmcl.2016.11.004
BindingDB Entry DOI: 10.7270/Q2TF00MM |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239551
(CHEMBL4091365)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CNCCN2CCOCC2)c1 |r| Show InChI InChI=1S/C28H32N8O2S/c1-18-16-39-24-13-22(19(2)34-27-23(14-29)26(30)32-17-33-27)25(28(37)36(18)24)21-5-3-4-20(12-21)15-31-6-7-35-8-10-38-11-9-35/h3-5,12-13,16-17,19,31H,6-11,15H2,1-2H3,(H3,30,32,33,34)/t19-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239560
(CHEMBL4081062)Show SMILES CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r| Show InChI InChI=1S/C30H35N7OS/c1-18(2)36-10-8-21(9-11-36)12-22-6-5-7-23(13-22)27-24(14-26-37(30(27)38)19(3)16-39-26)20(4)35-29-25(15-31)28(32)33-17-34-29/h5-7,13-14,16-18,20-21H,8-12H2,1-4H3,(H3,32,33,34,35)/t20-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of photolabeling of 24 kDa polypeptide in adenosine A1 receptor |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50239545
(CHEMBL4092688)Show SMILES C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r| Show InChI InChI=1S/C23H23N7OS/c1-13-11-32-20-8-17(14(2)29-22-19(10-25)21(26)27-12-28-22)18(23(31)30(13)20)7-15-4-3-5-16(6-15)9-24/h3-6,8,11-12,14H,7,9,24H2,1-2H3,(H3,26,27,28,29)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human His6-tagged PI3K p110delta/p85alpha using DiC8-PIP2 as substrate preincubated for 15 mins followed by substrate addit... |
J Med Chem 60: 5057-5071 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00401
BindingDB Entry DOI: 10.7270/Q2T43W8X |
More data for this
Ligand-Target Pair | |
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