Found 1250 hits with Last Name = 'lively' and Initial = 's' 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)) | BDBM50499195
(CHEMBL3735504)Show SMILES CC(C)(C)C(=O)Nc1ccc2n([C@@H]3CC[C@H](CO)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wD:12.11,15.15,(-7.45,.88,;-6.39,1.5,;-7.46,2.11,;-6.4,2.74,;-5.05,.74,;-5.04,-.49,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.36,-7.18,;4.54,-7.52,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C27H31F3N4O3/c1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30/h4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499203
(CHEMBL3736036)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C28H33F3N4O2/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37)/t19-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499205
(CHEMBL3734814)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccc(CO)cc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.81,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.72,-1.53,;-3.72,-2.76,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C23H24F3N3O3/c24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t14-,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499208
(CHEMBL3734872)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCC3=O)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-5.17,-.78,;-6.68,-1.11,;-7.46,.21,;-6.44,1.37,;-6.7,2.57,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C25H27N5O5/c31-20-9-7-18(8-10-20)29-22-11-6-16(15-28-12-2-5-23(28)32)13-21(22)26-25(29)27-24(33)17-3-1-4-19(14-17)30(34)35/h1,3-4,6,11,13-14,18,20,31H,2,5,7-10,12,15H2,(H,26,27,33)/t18-,20- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499194
(CHEMBL3734854)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33N5O4/c33-18-19-7-10-22(11-8-19)31-25-12-9-20(17-30-13-2-1-3-14-30)15-24(25)28-27(31)29-26(34)21-5-4-6-23(16-21)32(35)36/h4-6,9,12,15-16,19,22,33H,1-3,7-8,10-11,13-14,17-18H2,(H,28,29,34)/t19-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499197
(CHEMBL3736465)Show SMILES OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C29H29F3N4O2/c30-29(31,32)23-6-4-5-22(18-23)27(38)34-28-33-25-17-21(19-35-14-2-1-3-15-35)9-12-26(25)36(28)24-10-7-20(8-11-24)13-16-37/h4-12,17-18,37H,1-3,13-16,19H2,(H,33,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499206
(CHEMBL3735949)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C21H21FN4O4/c22-15-6-9-19-18(11-15)23-21(25(19)16-7-4-13(12-27)5-8-16)24-20(28)14-2-1-3-17(10-14)26(29)30/h1-3,6,9-11,13,16,27H,4-5,7-8,12H2,(H,23,24,28)/t13-,16+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499198
(CHEMBL3736278)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C27H25F3N4O/c28-27(29,30)21-9-7-8-20(17-21)25(35)32-26-31-23-16-19(18-33-14-5-2-6-15-33)12-13-24(23)34(26)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499199
(CHEMBL3735673)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C26H31N5O4/c32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35/h4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499202
(CHEMBL3735523)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCOCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C25H29N5O5/c31-21-7-5-19(6-8-21)29-23-9-4-17(16-28-10-12-35-13-11-28)14-22(23)26-25(29)27-24(32)18-2-1-3-20(15-18)30(33)34/h1-4,9,14-15,19,21,31H,5-8,10-13,16H2,(H,26,27,32)/t19-,21- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499200
(CHEMBL3735044)Show SMILES OC[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wU:5.8,wD:2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C21H21FN4O4/c22-15-6-9-19-18(11-15)23-21(25(19)16-7-4-13(12-27)5-8-16)24-20(28)14-2-1-3-17(10-14)26(29)30/h1-3,6,9-11,13,16,27H,4-5,7-8,12H2,(H,23,24,28)/t13-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499210
(CHEMBL3734846)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.45,1.38,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C20H19FN4O4/c21-13-4-9-18-17(11-13)22-20(24(18)14-5-7-16(26)8-6-14)23-19(27)12-2-1-3-15(10-12)25(28)29/h1-4,9-11,14,16,26H,5-8H2,(H,22,23,27)/t14-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499211
(CHEMBL3735247)Show SMILES OC[C@@H]1CC[C@@H](C1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r| Show InChI InChI=1S/C20H19FN4O4/c21-14-5-7-18-17(10-14)22-20(24(18)15-6-4-12(8-15)11-26)23-19(27)13-2-1-3-16(9-13)25(28)29/h1-3,5,7,9-10,12,15,26H,4,6,8,11H2,(H,22,23,27)/t12-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499204
(CHEMBL3735719)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499207
(CHEMBL3735975)Show SMILES OCc1ccc2n([C@H]3CC[C@H](O)CC3)c(NC(=O)c3cccc(c3)[N+]([O-])=O)nc2c1 |r,wU:7.6,wD:10.10,(-4.78,.9,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.28,-6.88,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C21H22N4O5/c26-12-13-4-9-19-18(10-13)22-21(24(19)15-5-7-17(27)8-6-15)23-20(28)14-2-1-3-16(11-14)25(29)30/h1-4,9-11,15,17,26-27H,5-8,12H2,(H,22,23,28)/t15-,17- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499201
(CHEMBL3736469)Show SMILES OC[C@H]1CC[C@@H](C1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 |r| Show InChI InChI=1S/C20H19FN4O4/c21-14-5-7-18-17(10-14)22-20(24(18)15-6-4-12(8-15)11-26)23-19(27)13-2-1-3-16(9-13)25(28)29/h1-3,5,7,9-10,12,15,26H,4,6,8,11H2,(H,22,23,27)/t12-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499197
(CHEMBL3736465)Show SMILES OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C29H29F3N4O2/c30-29(31,32)23-6-4-5-22(18-23)27(38)34-28-33-25-17-21(19-35-14-2-1-3-15-35)9-12-26(25)36(28)24-10-7-20(8-11-24)13-16-37/h4-12,17-18,37H,1-3,13-16,19H2,(H,33,34,38) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499199
(CHEMBL3735673)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C26H31N5O4/c32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35/h4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33)/t20-,22- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499199
(CHEMBL3735673)Show SMILES O[C@H]1CC[C@@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wU:4.7,wD:1.0,(3.28,-6.88,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C26H31N5O4/c32-22-10-8-20(9-11-22)30-24-12-7-18(17-29-13-2-1-3-14-29)15-23(24)27-26(30)28-25(33)19-5-4-6-21(16-19)31(34)35/h4-7,12,15-16,20,22,32H,1-3,8-11,13-14,17H2,(H,27,28,33)/t20-,22- | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499194
(CHEMBL3734854)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33N5O4/c33-18-19-7-10-22(11-8-19)31-25-12-9-20(17-30-13-2-1-3-14-30)15-24(25)28-27(31)29-26(34)21-5-4-6-23(16-21)32(35)36/h4-6,9,12,15-16,19,22,33H,1-3,7-8,10-11,13-14,17-18H2,(H,28,29,34)/t19-,22+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50499209
(CHEMBL3735096)Show SMILES OCCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(F)ccc12 Show InChI InChI=1S/C17H15FN4O4/c18-12-5-6-15-14(10-12)19-17(21(15)7-2-8-23)20-16(24)11-3-1-4-13(9-11)22(25)26/h1,3-6,9-10,23H,2,7-8H2,(H,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499194
(CHEMBL3734854)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)[N+]([O-])=O)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;8.99,-2.3,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C27H33N5O4/c33-18-19-7-10-22(11-8-19)31-25-12-9-20(17-30-13-2-1-3-14-30)15-24(25)28-27(31)29-26(34)21-5-4-6-23(16-21)32(35)36/h4-6,9,12,15-16,19,22,33H,1-3,7-8,10-11,13-14,17-18H2,(H,28,29,34)/t19-,22+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499203
(CHEMBL3736036)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C28H33F3N4O2/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37)/t19-,23+ | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 72 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499203
(CHEMBL3736036)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-3.72,1.53,;-5.05,.74,;-6.39,1.5,;-7.71,.72,;-7.7,-.82,;-6.36,-1.58,;-5.03,-.8,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C28H33F3N4O2/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37)/t19-,23+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499204
(CHEMBL3735719)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50499198
(CHEMBL3736278)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C27H25F3N4O/c28-27(29,30)21-9-7-8-20(17-21)25(35)32-26-31-23-16-19(18-33-14-5-2-6-15-33)12-13-24(23)34(26)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,31,32,35) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 608 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IRAK-1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499197
(CHEMBL3736465)Show SMILES OCCc1ccc(cc1)-n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2cc(CN3CCCCC3)ccc12 Show InChI InChI=1S/C29H29F3N4O2/c30-29(31,32)23-6-4-5-22(18-23)27(38)34-28-33-25-17-21(19-35-14-2-1-3-15-35)9-12-26(25)36(28)24-10-7-20(8-11-24)13-16-37/h4-12,17-18,37H,1-3,13-16,19H2,(H,33,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499204
(CHEMBL3735719)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C26H25N5O3/c32-25(20-8-7-11-22(17-20)31(33)34)28-26-27-23-16-19(18-29-14-5-2-6-15-29)12-13-24(23)30(26)21-9-3-1-4-10-21/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,27,28,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499205
(CHEMBL3734814)Show SMILES OC[C@H]1CC[C@H](CC1)n1c(NC(=O)c2cccc(c2)C(F)(F)F)nc2ccc(CO)cc12 |r,wD:5.8,2.1,(4.54,-7.52,;3.36,-7.18,;2.98,-5.68,;4.09,-4.62,;3.72,-3.12,;2.24,-2.7,;1.13,-3.76,;1.5,-5.26,;1.76,-1.24,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.81,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-3.72,-1.53,;-3.72,-2.76,;-1.03,-1.55,;.3,-.77,)| Show InChI InChI=1S/C23H24F3N3O3/c24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-9-6-15(13-31)10-20(19)29(22)18-7-4-14(12-30)5-8-18/h1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32)/t14-,18+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499198
(CHEMBL3736278)Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2cc(CN3CCCCC3)ccc2n1-c1ccccc1 Show InChI InChI=1S/C27H25F3N4O/c28-27(29,30)21-9-7-8-20(17-21)25(35)32-26-31-23-16-19(18-33-14-5-2-6-15-33)12-13-24(23)34(26)22-10-3-1-4-11-22/h1,3-4,7-13,16-17H,2,5-6,14-15,18H2,(H,31,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human)) | BDBM50499195
(CHEMBL3735504)Show SMILES CC(C)(C)C(=O)Nc1ccc2n([C@@H]3CC[C@H](CO)CC3)c(NC(=O)c3cccc(c3)C(F)(F)F)nc2c1 |r,wD:12.11,15.15,(-7.45,.88,;-6.39,1.5,;-7.46,2.11,;-6.4,2.74,;-5.05,.74,;-5.04,-.49,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.24,-2.7,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;3.36,-7.18,;4.54,-7.52,;1.5,-5.26,;1.13,-3.76,;2.66,.02,;4.2,.04,;4.95,1.38,;4.32,2.44,;6.49,1.4,;7.24,2.75,;8.78,2.76,;9.57,1.44,;8.82,.1,;7.28,.08,;9.6,-1.23,;10.83,-1.22,;9,-2.3,;10.23,-2.29,;1.76,1.24,;.3,.77,;-1.03,1.55,)| Show InChI InChI=1S/C27H31F3N4O3/c1-26(2,3)24(37)31-19-9-12-22-21(14-19)32-25(34(22)20-10-7-16(15-35)8-11-20)33-23(36)17-5-4-6-18(13-17)27(28,29)30/h4-6,9,12-14,16,20,35H,7-8,10-11,15H2,1-3H3,(H,31,37)(H,32,33,36)/t16-,20+ | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of TAK1 (unknown origin) |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50184719
(CHEMBL208116 | N-(5-fluoro-1H-benzo[d]imidazol-2-y...)Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccc(F)cc2[nH]1 Show InChI InChI=1S/C14H9FN4O3/c15-9-4-5-11-12(7-9)17-14(16-11)18-13(20)8-2-1-3-10(6-8)19(21)22/h1-7H,(H2,16,17,18,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant full length IRAK-4 (unknown origin) using the biotinylated substrate RRRVTSPARRS by chemiluminescent ELISA |
Bioorg Med Chem Lett 25: 5546-50 (2015)
Article DOI: 10.1016/j.bmcl.2015.10.060
BindingDB Entry DOI: 10.7270/Q29W0JG8 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001577
(CHEMBL3237712)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC(CC1)N(C)C |r,wU:17.17,wD:20.21,(.78,-65.37,;2.1,-66.15,;3.44,-65.38,;3.44,-63.83,;4.77,-63.06,;4.76,-61.52,;6.09,-60.75,;6.08,-59.22,;7.4,-58.44,;8.75,-59.21,;10.22,-58.73,;10.84,-57.33,;12.37,-57.17,;13.28,-58.42,;12.65,-59.83,;11.12,-59.98,;10.21,-61.23,;10.69,-62.7,;12.2,-63.02,;12.67,-64.49,;11.63,-65.63,;12.1,-67.1,;10.13,-65.3,;9.66,-63.84,;8.74,-60.75,;7.42,-61.52,;6.1,-63.83,;6.11,-65.38,;4.77,-66.15,;4.77,-67.69,;3.43,-68.46,;3.43,-69.99,;4.76,-70.76,;6.09,-70,;6.1,-68.45,;4.75,-72.3,;3.41,-73.07,;6.08,-73.08,)| Show InChI InChI=1S/C29H38N8O/c1-19-5-7-21(8-6-19)37-25-18-30-14-11-22(25)23-17-31-29(34-27(23)37)33-26-10-9-24(28(32-26)38-4)36-15-12-20(13-16-36)35(2)3/h9-11,14,17-21H,5-8,12-13,15-16H2,1-4H3,(H,31,32,33,34)/t19-,21- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411480
(US10392376, Example 40a | US10392376, Example 40b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12 |r| Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System; ChemPartner Corporation
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10800769 (2020)
BindingDB Entry DOI: 10.7270/Q2XD14R1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001541
(CHEMBL3237706)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(nc3)N3CCNCC3)nc12 |r,wU:4.7,wD:1.0,(34.74,-35.4,;34.27,-33.94,;35.31,-32.8,;34.84,-31.33,;33.33,-31.01,;32.3,-32.15,;32.77,-33.61,;32.86,-29.55,;33.77,-28.3,;35.3,-28.14,;35.93,-26.73,;35.02,-25.48,;33.49,-25.65,;32.87,-27.05,;31.4,-27.52,;30.05,-26.75,;28.73,-27.53,;28.74,-29.06,;27.41,-29.84,;27.41,-31.38,;28.74,-32.13,;28.75,-33.66,;27.42,-34.45,;26.08,-33.68,;26.08,-32.14,;27.42,-35.99,;26.09,-36.76,;26.1,-38.29,;27.43,-39.06,;28.76,-38.29,;28.76,-36.74,;30.07,-29.83,;31.39,-29.07,)| Show InChI InChI=1S/C25H30N8/c1-17-2-5-19(6-3-17)33-22-16-27-9-8-20(22)21-15-29-25(31-24(21)33)30-18-4-7-23(28-14-18)32-12-10-26-11-13-32/h4,7-9,14-17,19,26H,2-3,5-6,10-13H2,1H3,(H,29,30,31)/t17-,19- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411480
(US10392376, Example 40a | US10392376, Example 40b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12 |r| Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VM4GHM |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411480
(US10392376, Example 40a | US10392376, Example 40b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12 |r| Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10392376 (2019)
BindingDB Entry DOI: 10.7270/Q2H70J60 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411535
((R)-((2-(2-(difluoro- methyl)-1H-benzo[d]- imidazo...)Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c([H]C(F)F)nc2ccccc12 |r| Show InChI InChI=1S/C19H23F2N6O2S/c1-12-11-29-9-8-26(12)16-10-15(25-30(2,3)28)23-18(24-16)27-14-7-5-4-6-13(14)22-19(27)31-17(20)21/h4-7,10,12,17H,8-9,11H2,1-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VM4GHM |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411490
(US10392376, Example 44a | US10392376, Example 44b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12 |r| Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)20-12-19(25-30(3,28)16-8-9-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,12,14,16H,8-11,13H2,1-3H3/t14-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System; ChemPartner Corporation
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10800769 (2020)
BindingDB Entry DOI: 10.7270/Q2XD14R1 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM570458
(US11434233, Example 44b)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@@](C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VM4GHM |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411535
((R)-((2-(2-(difluoro- methyl)-1H-benzo[d]- imidazo...)Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c([H]C(F)F)nc2ccccc12 |r| Show InChI InChI=1S/C19H23F2N6O2S/c1-12-11-29-9-8-26(12)16-10-15(25-30(2,3)28)23-18(24-16)27-14-7-5-4-6-13(14)22-19(27)31-17(20)21/h4-7,10,12,17H,8-9,11H2,1-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System; ChemPartner Corporation
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10800769 (2020)
BindingDB Entry DOI: 10.7270/Q2XD14R1 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411490
(US10392376, Example 44a | US10392376, Example 44b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12 |r| Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)20-12-19(25-30(3,28)16-8-9-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,12,14,16H,8-11,13H2,1-3H3/t14-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10392376 (2019)
BindingDB Entry DOI: 10.7270/Q2H70J60 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411535
((R)-((2-(2-(difluoro- methyl)-1H-benzo[d]- imidazo...)Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c([H]C(F)F)nc2ccccc12 |r| Show InChI InChI=1S/C19H23F2N6O2S/c1-12-11-29-9-8-26(12)16-10-15(25-30(2,3)28)23-18(24-16)27-14-7-5-4-6-13(14)22-19(27)31-17(20)21/h4-7,10,12,17H,8-9,11H2,1-3H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10392376 (2019)
BindingDB Entry DOI: 10.7270/Q2H70J60 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411502
(US10392376, Example 53 | US10800769, Example 53 | ...)Show SMILES C[F]c1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O |r| Show InChI InChI=1S/C19H24FN6O2S/c1-13-12-28-10-9-25(13)17-11-16(24-29(3,4)27)22-19(23-17)26-15-8-6-5-7-14(15)21-18(26)20-2/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10392376 (2019)
BindingDB Entry DOI: 10.7270/Q2H70J60 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411502
(US10392376, Example 53 | US10800769, Example 53 | ...)Show SMILES C[F]c1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O |r| Show InChI InChI=1S/C19H24FN6O2S/c1-13-12-28-10-9-25(13)17-11-16(24-29(3,4)27)22-19(23-17)26-15-8-6-5-7-14(15)21-18(26)20-2/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2VM4GHM |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411502
(US10392376, Example 53 | US10800769, Example 53 | ...)Show SMILES C[F]c1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O |r| Show InChI InChI=1S/C19H24FN6O2S/c1-13-12-28-10-9-25(13)17-11-16(24-29(3,4)27)22-19(23-17)26-15-8-6-5-7-14(15)21-18(26)20-2/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System; ChemPartner Corporation
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10800769 (2020)
BindingDB Entry DOI: 10.7270/Q2XD14R1 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001576
(CHEMBL3237711)Show SMILES C[C@H]1CC[C@@H](CC1)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(CC4)N(C)C)c(F)n3)nc12 |r,wU:4.7,wD:1.0,(48.6,-50.76,;48.13,-49.29,;49.17,-48.15,;48.7,-46.68,;47.19,-46.36,;46.16,-47.5,;46.63,-48.96,;46.72,-44.9,;47.63,-43.65,;49.16,-43.49,;49.79,-42.08,;48.88,-40.83,;47.35,-40.99,;46.73,-42.4,;45.26,-42.87,;43.91,-42.1,;42.58,-42.88,;42.6,-44.41,;41.27,-45.19,;41.25,-46.72,;42.56,-47.49,;42.55,-49.02,;41.22,-49.78,;41.2,-51.31,;39.86,-52.07,;39.84,-53.6,;41.17,-54.39,;42.51,-53.63,;42.53,-52.09,;41.15,-55.93,;39.8,-56.68,;42.47,-56.72,;39.9,-49,;38.55,-49.76,;39.91,-47.47,;43.93,-45.18,;45.25,-44.42,)| Show InChI InChI=1S/C28H35FN8/c1-18-4-6-20(7-5-18)37-24-17-30-13-10-21(24)22-16-31-28(34-27(22)37)33-25-9-8-23(26(29)32-25)36-14-11-19(12-15-36)35(2)3/h8-10,13,16-20H,4-7,11-12,14-15H2,1-3H3,(H,31,32,33,34)/t18-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50001583
(CHEMBL3237718)Show SMILES COc1nc(Nc2ncc3c4ccncc4n([C@H]4CC[C@H](C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1 |r,wU:17.17,wD:20.21,(36.2,-55.73,;37.53,-56.52,;38.87,-55.76,;38.89,-54.23,;40.23,-53.48,;40.24,-51.95,;41.57,-51.18,;41.56,-49.64,;42.89,-48.87,;44.23,-49.63,;45.7,-49.16,;46.33,-47.76,;47.86,-47.59,;48.77,-48.84,;48.14,-50.25,;46.6,-50.41,;45.7,-51.66,;46.17,-53.12,;47.67,-53.44,;48.14,-54.91,;47.11,-56.05,;47.58,-57.52,;45.6,-55.72,;45.13,-54.26,;44.23,-51.18,;42.9,-51.95,;41.54,-54.25,;41.53,-55.78,;40.19,-56.54,;40.18,-58.07,;38.84,-58.83,;38.82,-60.36,;40.14,-61.15,;38.9,-62.06,;39.37,-63.52,;40.91,-63.52,;41.82,-64.77,;41.39,-62.06,;41.49,-60.4,;41.51,-58.85,)| Show InChI InChI=1S/C30H36N8O2/c1-19-3-5-20(6-4-19)38-24-18-31-14-10-21(24)22-17-32-29(35-27(22)38)34-25-8-7-23(28(33-25)40-2)37-15-12-30(13-16-37)11-9-26(39)36-30/h7-8,10,14,17-20H,3-6,9,11-13,15-16H2,1-2H3,(H,36,39)(H,32,33,34,35)/t19-,20- | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused human FLT3 cytoplasmic domain (amino acids 564 to 993) using Ulight-JAK1 as substrate after 1 hr by TR-FRET assay |
J Med Chem 57: 3430-49 (2014)
Article DOI: 10.1021/jm500118j
BindingDB Entry DOI: 10.7270/Q2BK1DV4 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM112481
(US8623885, 22)Show SMILES OCC(=O)N1CCc2nc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)ccc2C1 Show InChI InChI=1S/C24H25N7O2/c32-14-22(33)30-10-8-19-15(13-30)5-6-21(27-19)28-24-26-11-18-17-7-9-25-12-20(17)31(23(18)29-24)16-3-1-2-4-16/h5-7,9,11-12,16,32H,1-4,8,10,13-14H2,(H,26,27,28,29) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | 7.6 | n/a |
Amgen Inc.
US Patent
| Assay Description
The FLT3 inhibitory activity of the CDK4/6-FLT3 inhibitors was determined with a HTRF kinase assay. The FLT3 enzyme (GST-FLT3 fusion) was purchased f... |
US Patent US8623885 (2014)
BindingDB Entry DOI: 10.7270/Q2DZ06Z1 |
More data for this
Ligand-Target Pair | |
ATR-interacting protein/Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM411476
(US10392376, Example 38a | US10392376, Example 38b ...)Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-n1cnc2ccccc12 |r| Show InChI InChI=1S/C20H24N6O3S/c1-14-10-28-8-7-25(14)19-9-18(24-30(2,27)15-11-29-12-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,9,13-15H,7-8,10-12H2,1-2H3/t14-,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| UniChem
| US Patent
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Board of Regents, The University of Texas System
US Patent
| Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu... |
US Patent US10392376 (2019)
BindingDB Entry DOI: 10.7270/Q2H70J60 |
More data for this
Ligand-Target Pair | |
Search and Browse
