Found 97 hits of Enzyme Inhibition Constant Data 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 |
|---|
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant RET expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170218
(CHEMBL3804952)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170217
(CHEMBL3805114)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170215
(CHEMBL3806261)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170171
(CHEMBL3805029)Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170216
(CHEMBL3805956)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FLT3 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170219
(CHEMBL3805074)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant VEGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170168
(CHEMBL3805865)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170174
(CHEMBL3804941)Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | 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 | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170172
(CHEMBL3806240)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1 Show InChI InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170224
(CHEMBL3804972)Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170168
(CHEMBL3805865)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | 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 | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 272 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170215
(CHEMBL3806261)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170171
(CHEMBL3805029)Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170218
(CHEMBL3804952)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170168
(CHEMBL3805865)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170217
(CHEMBL3805114)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170216
(CHEMBL3805956)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170218
(CHEMBL3804952)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccnc(NC)c4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H32F3N5O2/c1-3-35-12-14-36(15-13-35)19-21-6-7-22(17-25(21)28(29,30)31)34-27(37)16-20-4-8-23(9-5-20)38-24-10-11-33-26(18-24)32-2/h4-11,17-18H,3,12-16,19H2,1-2H3,(H,32,33)(H,34,37) | 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 | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 672 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDGFRalpha expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170220
(CHEMBL3805094)Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(H,34,37)(H,31,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 760 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | 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 | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 888 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant c-KIT expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 2
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 930 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant FGFR2 expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDGFRbeta expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor beta
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
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 | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDGFRbeta expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Platelet-derived growth factor receptor alpha
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.28E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant PDGFRalpha expressed in sf21 cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Mast/stem cell growth factor receptor Kit
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant c-KIT expressed in insect cells using Poly(Glu:Tyr) as substrate in presence of [gamma32P]ATP |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM31085
(1-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluorom...)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170213
(CHEMBL3806141)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.91E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170219
(CHEMBL3805074)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170217
(CHEMBL3805114)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4ccncc4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)19-21-5-6-22(18-25(21)27(28,29)30)32-26(35)17-20-3-7-23(8-4-20)36-24-9-11-31-12-10-24/h3-12,18H,2,13-17,19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.88E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170174
(CHEMBL3804941)Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170168
(CHEMBL3805865)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-23-4-8-24(16-26(23)29(30,31)32)35-28(39)19-40-25-9-5-21(6-10-25)22-7-11-27(33-17-22)34-20(2)38/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,35,39)(H,33,34,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170169
(CHEMBL3806302)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170224
(CHEMBL3804972)Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170170
(CHEMBL3806022)Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170171
(CHEMBL3805029)Show SMILES FC(F)(F)c1cc(NC(=O)COc2ccc(cc2)-c2cccnc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C25H25F3N4O2/c26-25(27,28)23-14-21(6-3-20(23)16-32-12-10-29-11-13-32)31-24(33)17-34-22-7-4-18(5-8-22)19-2-1-9-30-15-19/h1-9,14-15,29H,10-13,16-17H2,(H,31,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170214
(CHEMBL3805624)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170220
(CHEMBL3805094)Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(H,34,37)(H,31,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170170
(CHEMBL3806022)Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170169
(CHEMBL3806302)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170170
(CHEMBL3806022)Show SMILES CCN1CCN(Cc2ccc(NC(=O)C(C)Oc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H31F3N4O2/c1-3-34-13-15-35(16-14-34)19-23-6-9-24(17-26(23)28(29,30)31)33-27(36)20(2)37-25-10-7-21(8-11-25)22-5-4-12-32-18-22/h4-12,17-18,20H,3,13-16,19H2,1-2H3,(H,33,36) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170173
(CHEMBL3805647)Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(H,33,35) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170174
(CHEMBL3804941)Show SMILES CCC1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-20-11-14-34(15-12-20)18-23-5-8-24(16-26(23)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)22-4-3-13-32-17-22/h3-10,13,16-17,20H,2,11-12,14-15,18-19H2,1H3,(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170213
(CHEMBL3806141)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170220
(CHEMBL3805094)Show SMILES CCN1CCN(Cc2ccc(CC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-5-4-19(14-23(20)27(28,29)30)15-25(37)34-21-6-8-22(9-7-21)38-26-16-24(31-2)32-18-33-26/h4-9,14,16,18H,3,10-13,15,17H2,1-2H3,(H,34,37)(H,31,32,33) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170214
(CHEMBL3805624)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170215
(CHEMBL3806261)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H30F3N5O/c1-2-34-12-14-35(15-13-34)19-22-7-10-24(16-25(22)27(28,29)30)33-26(36)18-32-23-8-5-20(6-9-23)21-4-3-11-31-17-21/h3-11,16-17,32H,2,12-15,18-19H2,1H3,(H,33,36) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170216
(CHEMBL3805956)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-12-14-34(15-13-33)18-22-5-8-23(16-25(22)27(28,29)30)32-26(35)19-36-24-9-6-20(7-10-24)21-4-3-11-31-17-21/h3-11,16-17H,2,12-15,18-19H2,1H3,(H,32,35) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170173
(CHEMBL3805647)Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(H,33,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170172
(CHEMBL3806240)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1 Show InChI InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170219
(CHEMBL3805074)Show SMILES CCN1CCN(Cc2ccc(NC(=O)Cc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H31F3N6O2/c1-3-35-10-12-36(13-11-35)17-20-6-7-21(15-23(20)27(28,29)30)34-25(37)14-19-4-8-22(9-5-19)38-26-16-24(31-2)32-18-33-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3,(H,34,37)(H,31,32,33) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170169
(CHEMBL3806302)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccc(nc3)C(=O)NC)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H32F3N5O3/c1-3-36-12-14-37(15-13-36)18-22-4-8-23(16-25(22)29(30,31)32)35-27(38)19-40-24-9-5-20(6-10-24)21-7-11-26(34-17-21)28(39)33-2/h4-11,16-17H,3,12-15,18-19H2,1-2H3,(H,33,39)(H,35,38) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170214
(CHEMBL3805624)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccccn3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-21-6-9-22(17-24(21)27(28,29)30)32-26(35)19-36-23-10-7-20(8-11-23)25-5-3-4-12-31-25/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170224
(CHEMBL3804972)Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) T315I mutant expressed in baculovirus expression system us... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170172
(CHEMBL3806240)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C2CC2)CC1 Show InChI InChI=1S/C29H34N4O2/c1-2-32-14-16-33(17-15-32)20-25-7-10-26(18-28(25)23-5-6-23)31-29(34)21-35-27-11-8-22(9-12-27)24-4-3-13-30-19-24/h3-4,7-13,18-19,23H,2,5-6,14-17,20-21H2,1H3,(H,31,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 1
(Homo sapiens (Human)) | BDBM50170213
(CHEMBL3806141)Show SMILES CCN1CCN(Cc2ccc(NC(=O)COc3ccc(cc3)-c3ccncc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N4O2/c1-2-33-13-15-34(16-14-33)18-22-3-6-23(17-25(22)27(28,29)30)32-26(35)19-36-24-7-4-20(5-8-24)21-9-11-31-12-10-21/h3-12,17H,2,13-16,18-19H2,1H3,(H,32,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK1 kinase domain (37 to 341 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1
(Homo sapiens (Human)) | BDBM50170224
(CHEMBL3804972)Show SMILES CC(C)C(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C29H33F3N6O2/c1-19(2)28(40)37-26-10-6-21(16-35-26)20-3-7-23(8-4-20)34-17-27(39)36-24-9-5-22(25(15-24)29(30,31)32)18-38-13-11-33-12-14-38/h3-10,15-16,19,33-34H,11-14,17-18H2,1-2H3,(H,36,39)(H,35,37,40) | 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 | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of BCR fused full length human recombinant N-terminal His-tagged ABL (2 to 1130 residues) expressed in baculovirus expression system using... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
MAP kinase-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM50170173
(CHEMBL3805647)Show SMILES CCN1CCC(Cc2ccc(NC(=O)COc3ccc(cc3)-c3cccnc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C28H30F3N3O2/c1-2-34-14-11-20(12-15-34)16-22-5-8-24(17-26(22)28(29,30)31)33-27(35)19-36-25-9-6-21(7-10-25)23-4-3-13-32-18-23/h3-10,13,17-18,20H,2,11-12,14-16,19H2,1H3,(H,33,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal GST-tagged MNK2 kinase domain (72 to 385 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) cells using JH3 ... |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50170223
(CHEMBL3805330)Show SMILES FC(F)(F)c1cc(NC(=O)CNc2ccc(cc2)-c2ccc(NC(=O)C3CC3)nc2)ccc1CN1CCNCC1 Show InChI InChI=1S/C29H31F3N6O2/c30-29(31,32)25-15-24(9-5-22(25)18-38-13-11-33-12-14-38)36-27(39)17-34-23-7-3-19(4-8-23)21-6-10-26(35-16-21)37-28(40)20-1-2-20/h3-10,15-16,20,33-34H,1-2,11-14,17-18H2,(H,36,39)(H,35,37,40) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50170167
(CHEMBL3805891)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(C)=O)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F3N6O2/c1-3-37-12-14-38(15-13-37)19-23-6-10-25(16-26(23)29(30,31)32)36-28(40)18-33-24-8-4-21(5-9-24)22-7-11-27(34-17-22)35-20(2)39/h4-11,16-17,33H,3,12-15,18-19H2,1-2H3,(H,36,40)(H,34,35,39) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50170166
(CHEMBL3804921)Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(NCC(=O)Nc2ccc(CN3CCNCC3)c(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C27H29F3N6O2/c1-18(37)34-25-9-5-20(15-33-25)19-2-6-22(7-3-19)32-16-26(38)35-23-8-4-21(24(14-23)27(28,29)30)17-36-12-10-31-11-13-36/h2-9,14-15,31-32H,10-13,16-17H2,1H3,(H,35,38)(H,33,34,37) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50170222
(CHEMBL3805771)Show SMILES CCN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-2-39-13-15-40(16-14-39)20-24-7-11-26(17-27(24)31(32,33)34)37-29(41)19-35-25-9-5-21(6-10-25)23-8-12-28(36-18-23)38-30(42)22-3-4-22/h5-12,17-18,22,35H,2-4,13-16,19-20H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50170221
(CHEMBL3806189)Show SMILES CN1CCN(Cc2ccc(NC(=O)CNc3ccc(cc3F)-c3ccc(NC(=O)C4CC4)nc3)cc2C(F)(F)F)CC1 Show InChI InChI=1S/C30H32F4N6O2/c1-39-10-12-40(13-11-39)18-22-4-7-23(15-24(22)30(32,33)34)37-28(41)17-35-26-8-5-20(14-25(26)31)21-6-9-27(36-16-21)38-29(42)19-2-3-19/h4-9,14-16,19,35H,2-3,10-13,17-18H2,1H3,(H,37,41)(H,36,38,42) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Experimental Therapeutics Centre
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 59: 3063-78 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01712
BindingDB Entry DOI: 10.7270/Q2028TF3 |
More data for this
Ligand-Target Pair | |
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