Found 54 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 |
|---|
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194901
(CHEMBL220504 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CC(C)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H20N4O4S/c1-11(2)26-18-14(9-19)15(20)8-16(22-18)17(23)21-10-12-4-6-13(7-5-12)27(3,24)25/h4-8,11H,10H2,1-3H3,(H2,20,22)(H,21,23) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50412094
(CHEMBL495233)Show SMILES CC(CO)Oc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H20N4O5S/c1-11(10-23)27-18-14(8-19)15(20)7-16(22-18)17(24)21-9-12-3-5-13(6-4-12)28(2,25)26/h3-7,11,23H,9-10H2,1-2H3,(H2,20,22)(H,21,24) | 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 | 22.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194856
(CHEMBL374269 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CC3)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(25,26)14-6-4-12(5-7-14)10-22-18(24)17-8-16(21)15(9-20)19(23-17)27-11-13-2-3-13/h4-8,13H,2-3,10-11H2,1H3,(H2,21,23)(H,22,24) | 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 | 23.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194875
(CHEMBL220658 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CC3)n2)cc1 Show InChI InChI=1S/C18H19N5O3S/c1-27(25,26)13-6-2-11(3-7-13)10-21-18(24)16-8-15(20)14(9-19)17(23-16)22-12-4-5-12/h2-3,6-8,12H,4-5,10H2,1H3,(H,21,24)(H3,20,22,23) | 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 | 32.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194890
(CHEMBL374193 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(c2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20N4O5S2/c1-32(28,29)16-8-6-14(7-9-16)13-25-22(27)20-11-19(24)18(12-23)21(26-20)15-4-3-5-17(10-15)33(2,30)31/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27) | 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 | 43.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194886
(CHEMBL221126 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES C\C=C\c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3+ | 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 | 48.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194873
(CHEMBL434560 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCCO)n2)cc1 Show InChI InChI=1S/C18H21N5O4S/c1-28(26,27)13-5-3-12(4-6-13)11-22-18(25)16-9-15(20)14(10-19)17(23-16)21-7-2-8-24/h3-6,9,24H,2,7-8,11H2,1H3,(H,22,25)(H3,20,21,23) | 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 | 54.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194869
(CHEMBL386010 | N-(4-(methylsulfonyl)benzyl)-6-(2-a...)Show SMILES CC(=O)NCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N6O4S/c1-12(26)22-7-8-23-18-15(10-20)16(21)9-17(25-18)19(27)24-11-13-3-5-14(6-4-13)30(2,28)29/h3-6,9H,7-8,11H2,1-2H3,(H,22,26)(H,24,27)(H3,21,23,25) | 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 | 59.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194872
(CHEMBL221315 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCC(N)=O)n2)cc1 Show InChI InChI=1S/C18H20N6O4S/c1-29(27,28)12-4-2-11(3-5-12)10-23-18(26)15-8-14(20)13(9-19)17(24-15)22-7-6-16(21)25/h2-5,8H,6-7,10H2,1H3,(H2,21,25)(H,23,26)(H3,20,22,24) | 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 | 66.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194865
(CHEMBL218194 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CC(C)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O3S/c1-11(2)22-17-14(9-19)15(20)8-16(23-17)18(24)21-10-12-4-6-13(7-5-12)27(3,25)26/h4-8,11H,10H2,1-3H3,(H,21,24)(H3,20,22,23) | 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 | 67.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194891
(CHEMBL384219 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC(CO)CO)n2)cc1 Show InChI InChI=1S/C18H21N5O5S/c1-29(27,28)13-4-2-11(3-5-13)8-21-18(26)16-6-15(20)14(7-19)17(23-16)22-12(9-24)10-25/h2-6,12,24-25H,8-10H2,1H3,(H,21,26)(H3,20,22,23) | 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 | 76.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194858
(CHEMBL221128 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1\C=C\C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H21N3O4S/c1-4-6-7-16-17(21)12-18(23-20(16)27-5-2)19(24)22-13-14-8-10-15(11-9-14)28(3,25)26/h1,6-12H,5,13H2,2-3H3,(H2,21,23)(H,22,24)/b7-6+ | 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 | 79.1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194908
(CHEMBL219112 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2)cc1 Show InChI InChI=1S/C19H16N4O3S2/c1-28(25,26)14-4-2-12(3-5-14)10-22-19(24)17-8-16(21)15(9-20)18(23-17)13-6-7-27-11-13/h2-8,11H,10H2,1H3,(H2,21,23)(H,22,24) | 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 | 80.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194870
(CHEMBL221229 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCC3)n2)cc1 Show InChI InChI=1S/C19H21N5O3S/c1-28(26,27)14-7-5-12(6-8-14)11-22-19(25)17-9-16(21)15(10-20)18(24-17)23-13-3-2-4-13/h5-9,13H,2-4,11H2,1H3,(H,22,25)(H3,21,23,24) | 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 | 84.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194896
(CHEMBL218658 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CC(C)COc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H22N4O4S/c1-12(2)11-27-19-15(9-20)16(21)8-17(23-19)18(24)22-10-13-4-6-14(7-5-13)28(3,25)26/h4-8,12H,10-11H2,1-3H3,(H2,21,23)(H,22,24) | 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 | 87.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194859
(1-(2-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-am...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCNC(N)=O)n2)cc1 Show InChI InChI=1S/C18H21N7O4S/c1-30(28,29)12-4-2-11(3-5-12)10-24-17(26)15-8-14(20)13(9-19)16(25-15)22-6-7-23-18(21)27/h2-5,8H,6-7,10H2,1H3,(H,24,26)(H3,20,22,25)(H3,21,23,27) | 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 | 92.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194874
(CHEMBL218219 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1 Show InChI InChI=1S/C17H19N5O4S/c1-27(25,26)12-4-2-11(3-5-12)10-21-17(24)15-8-14(19)13(9-18)16(22-15)20-6-7-23/h2-5,8,23H,6-7,10H2,1H3,(H,21,24)(H3,19,20,22) | 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 | 92.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194904
(CHEMBL375795 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1 Show InChI InChI=1S/C20H23N5O3S/c1-29(27,28)15-8-6-13(7-9-15)12-23-20(26)18-10-17(22)16(11-21)19(25-18)24-14-4-2-3-5-14/h6-10,14H,2-5,12H2,1H3,(H,23,26)(H3,22,24,25) | 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 | 95.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194903
(CHEMBL384951 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES COCCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N5O4S/c1-27-8-7-21-17-14(10-19)15(20)9-16(23-17)18(24)22-11-12-3-5-13(6-4-12)28(2,25)26/h3-6,9H,7-8,11H2,1-2H3,(H,22,24)(H3,20,21,23) | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194900
(CHEMBL218657 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES C\C=C/c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H18N4O3S/c1-3-4-16-14(10-19)15(20)9-17(22-16)18(23)21-11-12-5-7-13(8-6-12)26(2,24)25/h3-9H,11H2,1-2H3,(H2,20,22)(H,21,23)/b4-3- | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194905
(CHEMBL218141 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\CCO)n2)cc1 Show InChI InChI=1S/C19H20N4O4S/c1-28(26,27)14-7-5-13(6-8-14)12-22-19(25)18-10-16(21)15(11-20)17(23-18)4-2-3-9-24/h2,4-8,10,24H,3,9,12H2,1H3,(H2,21,23)(H,22,25)/b4-2+ | 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 | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194868
((S)-N-(4-(methylsulfonyl)benzyl)-4-amino-5-cyano-6...)Show SMILES C[C@@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O |r| Show InChI InChI=1S/C18H21N5O4S/c1-11(10-24)22-17-14(8-19)15(20)7-16(23-17)18(25)21-9-12-3-5-13(6-4-12)28(2,26)27/h3-7,11,24H,9-10H2,1-2H3,(H,21,25)(H3,20,22,23)/t11-/m0/s1 | 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 | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194860
(CHEMBL221745 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(O)c2)cc1 Show InChI InChI=1S/C21H18N4O4S/c1-30(28,29)16-7-5-13(6-8-16)12-24-21(27)19-10-18(23)17(11-22)20(25-19)14-3-2-4-15(26)9-14/h2-10,26H,12H2,1H3,(H2,23,25)(H,24,27) | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194871
(5-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-amino...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccc(s2)C(O)=O)cc1 Show InChI InChI=1S/C20H16N4O5S2/c1-31(28,29)12-4-2-11(3-5-12)10-23-19(25)15-8-14(22)13(9-21)18(24-15)16-6-7-17(30-16)20(26)27/h2-8H,10H2,1H3,(H2,22,24)(H,23,25)(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194877
(CHEMBL220758 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCc3ccccc3)n2)cc1 Show InChI InChI=1S/C23H23N5O3S/c1-32(30,31)18-9-7-17(8-10-18)15-27-23(29)21-13-20(25)19(14-24)22(28-21)26-12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,15H2,1H3,(H,27,29)(H3,25,26,28) | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194897
(CHEMBL387253 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccoc2)cc1 Show InChI InChI=1S/C19H16N4O4S/c1-28(25,26)14-4-2-12(3-5-14)10-22-19(24)17-8-16(21)15(9-20)18(23-17)13-6-7-27-11-13/h2-8,11H,10H2,1H3,(H2,21,23)(H,22,24) | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194878
(3-(6-((4-(methylsulfonyl)benzyl)carbamoyl)-4-amino...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\C(O)=O)n2)cc1 Show InChI InChI=1S/C18H16N4O5S/c1-28(26,27)12-4-2-11(3-5-12)10-21-18(25)16-8-14(20)13(9-19)15(22-16)6-7-17(23)24/h2-8H,10H2,1H3,(H2,20,22)(H,21,25)(H,23,24)/b7-6+ | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194880
(CHEMBL221179 | N2-(4-(methylsulfonyl)benzyl)-4-ami...)Show SMILES CCOc1nc(cc(N)c1C(N)=O)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C17H20N4O5S/c1-3-26-17-14(15(19)22)12(18)8-13(21-17)16(23)20-9-10-4-6-11(7-5-10)27(2,24)25/h4-8H,3,9H2,1-2H3,(H2,18,21)(H2,19,22)(H,20,23) | 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 | 318 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194884
(CHEMBL220811 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C20H17N5O3S/c1-29(27,28)15-6-4-13(5-7-15)11-24-20(26)18-9-17(22)16(10-21)19(25-18)14-3-2-8-23-12-14/h2-9,12H,11H2,1H3,(H2,22,25)(H,24,26) | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194902
(CHEMBL383994 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C#C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H19N3O4S/c1-4-14-15(19)10-16(21-18(14)25-5-2)17(22)20-11-12-6-8-13(9-7-12)26(3,23)24/h1,6-10H,5,11H2,2-3H3,(H2,19,21)(H,20,22) | 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 | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194885
(CHEMBL374431 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCC3CCCC3)n2)cc1 Show InChI InChI=1S/C21H24N4O4S/c1-30(27,28)16-8-6-14(7-9-16)12-24-20(26)19-10-18(23)17(11-22)21(25-19)29-13-15-4-2-3-5-15/h6-10,15H,2-5,12-13H2,1H3,(H2,23,25)(H,24,26) | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194898
(CHEMBL220865 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1\C=C\C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H20N4O4S/c1-3-27-19-15(5-4-10-20)16(21)11-17(23-19)18(24)22-12-13-6-8-14(9-7-13)28(2,25)26/h4-9,11H,3,12H2,1-2H3,(H2,21,23)(H,22,24)/b5-4+ | 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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194893
(CHEMBL218419 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES COc1ccc(Oc2nc(cc(N)c2C#N)C(=O)NCc2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C22H20N4O5S/c1-30-15-5-7-16(8-6-15)31-22-18(12-23)19(24)11-20(26-22)21(27)25-13-14-3-9-17(10-4-14)32(2,28)29/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27) | 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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194882
(CHEMBL220812 | N6-(4-(methylsulfonyl)benzyl)-4-ami...)Show SMILES CC(C)NC(=O)c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H21N5O4S/c1-11(2)23-19(26)17-14(9-20)15(21)8-16(24-17)18(25)22-10-12-4-6-13(7-5-12)29(3,27)28/h4-8,11H,10H2,1-3H3,(H2,21,24)(H,22,25)(H,23,26) | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194909
(CHEMBL221252 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES COc1cccc(c1)-c1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H20N4O4S/c1-30-16-5-3-4-15(10-16)21-18(12-23)19(24)11-20(26-21)22(27)25-13-14-6-8-17(9-7-14)31(2,28)29/h3-11H,13H2,1-2H3,(H2,24,26)(H,25,27) | 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 | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194910
(CHEMBL374447 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccncc2)cc1 Show InChI InChI=1S/C20H17N5O3S/c1-29(27,28)15-4-2-13(3-5-15)12-24-20(26)18-10-17(22)16(11-21)19(25-18)14-6-8-23-9-7-14/h2-10H,12H2,1H3,(H2,22,25)(H,24,26) | 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 | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194906
(CHEMBL220547 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CO)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-30(27,28)13-4-2-12(3-5-13)10-23-20(26)17-8-16(22)15(9-21)19(24-17)14-6-7-29-18(14)11-25/h2-8,25H,10-11H2,1H3,(H2,22,24)(H,23,26) | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194864
(CHEMBL221075 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cncnc2)cc1 Show InChI InChI=1S/C19H16N6O3S/c1-29(27,28)14-4-2-12(3-5-14)8-24-19(26)17-6-16(21)15(7-20)18(25-17)13-9-22-11-23-10-13/h2-6,9-11H,8H2,1H3,(H2,21,25)(H,24,26) | 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 | 619 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194881
(CHEMBL220749 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCc3ccccc3)n2)cc1 Show InChI InChI=1S/C22H21N5O3S/c1-31(29,30)17-9-7-16(8-10-17)14-26-22(28)20-11-19(24)18(12-23)21(27-20)25-13-15-5-3-2-4-6-15/h2-11H,13-14H2,1H3,(H,26,28)(H3,24,25,27) | 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 | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194857
(CHEMBL221963 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C#CCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H21N3O5S/c1-3-27-19-15(5-4-10-23)16(20)11-17(22-19)18(24)21-12-13-6-8-14(9-7-13)28(2,25)26/h6-9,11,23H,3,10,12H2,1-2H3,(H2,20,22)(H,21,24) | 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 | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194899
(CHEMBL221916 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C=C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C18H21N3O4S/c1-4-14-15(19)10-16(21-18(14)25-5-2)17(22)20-11-12-6-8-13(9-7-12)26(3,23)24/h4,6-10H,1,5,11H2,2-3H3,(H2,19,21)(H,20,22) | 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 | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194863
(CHEMBL222008 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H17ClN4O3S/c1-30(28,29)16-7-5-13(6-8-16)12-25-21(27)19-10-18(24)17(11-23)20(26-19)14-3-2-4-15(22)9-14/h2-10H,12H2,1H3,(H2,24,26)(H,25,27) | 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 | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194862
(CHEMBL385177 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(\C=C\c3ccccc3)n2)cc1 Show InChI InChI=1S/C23H20N4O3S/c1-31(29,30)18-10-7-17(8-11-18)15-26-23(28)22-13-20(25)19(14-24)21(27-22)12-9-16-5-3-2-4-6-16/h2-13H,15H2,1H3,(H2,25,27)(H,26,28)/b12-9+ | 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 | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50412095
(CHEMBL495459)Show SMILES CC(C)[C@H](CO)Nc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H25N5O4S/c1-12(2)18(11-26)25-19-15(9-21)16(22)8-17(24-19)20(27)23-10-13-4-6-14(7-5-13)30(3,28)29/h4-8,12,18,26H,10-11H2,1-3H3,(H,23,27)(H3,22,24,25)/t18-/m0/s1 | 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 | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194889
(CHEMBL373740 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C#C\C=C\CO)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O5S/c1-3-29-21-17(7-5-4-6-12-25)18(22)13-19(24-21)20(26)23-14-15-8-10-16(11-9-15)30(2,27)28/h4,6,8-11,13,25H,3,12,14H2,1-2H3,(H2,22,24)(H,23,26)/b6-4+ | 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 | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194895
(CHEMBL218139 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCN)n2)cc1 Show InChI InChI=1S/C17H20N6O3S/c1-27(25,26)12-4-2-11(3-5-12)10-22-17(24)15-8-14(20)13(9-19)16(23-15)21-7-6-18/h2-5,8H,6-7,10,18H2,1H3,(H,22,24)(H3,20,21,23) | 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 | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50412093
(CHEMBL495406)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(OCCC(O)=O)n2)cc1 Show InChI InChI=1S/C18H18N4O6S/c1-29(26,27)12-4-2-11(3-5-12)10-21-17(25)15-8-14(20)13(9-19)18(22-15)28-7-6-16(23)24/h2-5,8H,6-7,10H2,1H3,(H2,20,22)(H,21,25)(H,23,24) | 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 | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194907
(CHEMBL220607 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(n2)-c2ccsc2CNCc2ccccc2)cc1 Show InChI InChI=1S/C27H25N5O3S2/c1-37(34,35)20-9-7-19(8-10-20)16-31-27(33)24-13-23(29)22(14-28)26(32-24)21-11-12-36-25(21)17-30-15-18-5-3-2-4-6-18/h2-13,30H,15-17H2,1H3,(H2,29,32)(H,31,33) | 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 | 1.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194861
(CHEMBL376096 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C#CCCO)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H23N3O5S/c1-3-28-20-16(6-4-5-11-24)17(21)12-18(23-20)19(25)22-13-14-7-9-15(10-8-14)29(2,26)27/h7-10,12,24H,3,5,11,13H2,1-2H3,(H2,21,23)(H,22,25) | 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 | 2.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194894
(CHEMBL374795 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1\C=C\c1ccccc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C24H25N3O4S/c1-3-31-24-20(14-11-17-7-5-4-6-8-17)21(25)15-22(27-24)23(28)26-16-18-9-12-19(13-10-18)32(2,29)30/h4-15H,3,16H2,1-2H3,(H2,25,27)(H,26,28)/b14-11+ | 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 | 2.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194888
(CHEMBL220864 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1\C=C\C(C)(C)C)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H29N3O4S/c1-6-29-21-17(11-12-22(2,3)4)18(23)13-19(25-21)20(26)24-14-15-7-9-16(10-8-15)30(5,27)28/h7-13H,6,14H2,1-5H3,(H2,23,25)(H,24,26)/b12-11+ | 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 | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194866
(CHEMBL374855 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CCOc1nc(cc(N)c1C#Cc1ccsc1)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C22H21N3O4S2/c1-3-29-22-18(9-6-16-10-11-30-14-16)19(23)12-20(25-22)21(26)24-13-15-4-7-17(8-5-15)31(2,27)28/h4-5,7-8,10-12,14H,3,13H2,1-2H3,(H2,23,25)(H,24,26) | 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 | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194887
(CHEMBL221958 | N2-(4-(methylsulfonyl)benzyl)-4-ami...)Show SMILES CCCNC(=O)c1c(N)cc(nc1OCC)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C20H26N4O5S/c1-4-10-22-19(26)17-15(21)11-16(24-20(17)29-5-2)18(25)23-12-13-6-8-14(9-7-13)30(3,27)28/h6-9,11H,4-5,10,12H2,1-3H3,(H2,21,24)(H,22,26)(H,23,25) | 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 | 5.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50194892
(CHEMBL221175 | N-(4-(methylsulfonyl)benzyl)-4-amin...)Show SMILES CN(C)CCNc1nc(cc(N)c1C#N)C(=O)NCc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H24N6O3S/c1-25(2)9-8-22-18-15(11-20)16(21)10-17(24-18)19(26)23-12-13-4-6-14(7-5-13)29(3,27)28/h4-7,10H,8-9,12H2,1-3H3,(H,23,26)(H3,21,22,24) | 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 | 7.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of JNK1 |
Eur J Med Chem 43: 604-13 (2008)
Article DOI: 10.1016/j.ejmech.2007.04.020
BindingDB Entry DOI: 10.7270/Q2T43V9Z |
More data for this
Ligand-Target Pair | |
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