Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50017030 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176588
(3-acetamido-N-(3-cyano-5-methyl-4-(4-phenoxyphenyl...)Show SMILES CC(=O)Nc1cccc(c1)C(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C30H24N6O3/c1-19-27(35-30(38)21-7-6-8-24(15-21)33-20(2)37)18-36-29(19)28(22(16-31)17-32-36)34-23-11-13-26(14-12-23)39-25-9-4-3-5-10-25/h3-15,17-18,34H,1-2H3,(H,33,37)(H,35,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176580
(1-(3-cyano-5-methyl-4-(4-phenoxyphenylamino)H-pyrr...)Show SMILES CNC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C23H20N6O2/c1-15-20(28-23(30)25-2)14-29-22(15)21(16(12-24)13-26-29)27-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-11,13-14,27H,1-2H3,(H2,25,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176569
(CHEMBL201389 | methyl 3-cyano-5-methyl-4-(4-phenox...)Show SMILES COC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C23H19N5O3/c1-15-20(27-23(29)30-2)14-28-22(15)21(16(12-24)13-25-28)26-17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h3-11,13-14,26H,1-2H3,(H,27,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176595
(CHEMBL377288 | ethyl 3-cyano-4-(4-(2-methoxyphenox...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC)cc3)c2c1C Show InChI InChI=1S/C25H22N4O4/c1-4-32-25(30)20-15-29-24(16(20)2)23(17(13-26)14-27-29)28-18-9-11-19(12-10-18)33-22-8-6-5-7-21(22)31-3/h5-12,14-15,28H,4H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176559
(1-(3-cyano-4-(4-(2-methoxyphenoxy)phenylamino)-5-m...)Show SMILES COc1ccccc1Oc1ccc(Nc2c(cnn3cc(NC(=O)NCCN4CCOCC4)c(C)c23)C#N)cc1 Show InChI InChI=1S/C29H31N7O4/c1-20-24(34-29(37)31-11-12-35-13-15-39-16-14-35)19-36-28(20)27(21(17-30)18-32-36)33-22-7-9-23(10-8-22)40-26-6-4-3-5-25(26)38-2/h3-10,18-19,33H,11-16H2,1-2H3,(H2,31,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176593
(1-(3-cyano-4-(4-(3-methoxyphenoxy)phenylamino)-5-m...)Show SMILES COc1cccc(Oc2ccc(Nc3c(cnn4cc(NC(=O)NCCN5CCOCC5)c(C)c34)C#N)cc2)c1 Show InChI InChI=1S/C29H31N7O4/c1-20-26(34-29(37)31-10-11-35-12-14-39-15-13-35)19-36-28(20)27(21(17-30)18-32-36)33-22-6-8-23(9-7-22)40-25-5-3-4-24(16-25)38-2/h3-9,16,18-19,33H,10-15H2,1-2H3,(H2,31,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176592
(1-(3-cyano-4-(4-(2-fluorophenoxy)phenylamino)-5-me...)Show SMILES Cc1c(NC(=O)NCCN2CCOCC2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4F)cc3)c12 Show InChI InChI=1S/C28H28FN7O3/c1-19-24(34-28(37)31-10-11-35-12-14-38-15-13-35)18-36-27(19)26(20(16-30)17-32-36)33-21-6-8-22(9-7-21)39-25-5-3-2-4-23(25)29/h2-9,17-18,33H,10-15H2,1H3,(H2,31,34,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176572
(1-(3-cyano-5-methyl-4-(4-phenoxyphenylamino)H-pyrr...)Show SMILES Cc1c(NC(=O)NCCN2CCOCC2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H29N7O3/c1-20-25(33-28(36)30-11-12-34-13-15-37-16-14-34)19-35-27(20)26(21(17-29)18-31-35)32-22-7-9-24(10-8-22)38-23-5-3-2-4-6-23/h2-10,18-19,32H,11-16H2,1H3,(H2,30,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176586
(CHEMBL202063 | N-(3-cyano-5-methyl-4-(4-phenoxyphe...)Show SMILES Cc1c(NC(=O)c2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H21N5O2/c1-19-25(32-28(34)20-8-4-2-5-9-20)18-33-27(19)26(21(16-29)17-30-33)31-22-12-14-24(15-13-22)35-23-10-6-3-7-11-23/h2-15,17-18,31H,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176567
(2-morpholinoethyl 3-cyano-4-(4-(2-methoxyphenoxy)p...)Show SMILES COc1ccccc1Oc1ccc(Nc2c(cnn3cc(NC(=O)OCCN4CCOCC4)c(C)c23)C#N)cc1 Show InChI InChI=1S/C29H30N6O5/c1-20-24(33-29(36)39-16-13-34-11-14-38-15-12-34)19-35-28(20)27(21(17-30)18-31-35)32-22-7-9-23(10-8-22)40-26-6-4-3-5-25(26)37-2/h3-10,18-19,32H,11-16H2,1-2H3,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176564
(2-morpholinoethyl 3-cyano-5-methyl-4-(4-phenoxyphe...)Show SMILES Cc1c(NC(=O)OCCN2CCOCC2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H28N6O4/c1-20-25(32-28(35)37-16-13-33-11-14-36-15-12-33)19-34-27(20)26(21(17-29)18-30-34)31-22-7-9-24(10-8-22)38-23-5-3-2-4-6-23/h2-10,18-19,31H,11-16H2,1H3,(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176565
(CHEMBL202385 | ethyl 4-(4-benzylphenylamino)-3-cya...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C25H22N4O2/c1-3-31-25(30)22-16-29-24(17(22)2)23(20(14-26)15-27-29)28-21-11-9-19(10-12-21)13-18-7-5-4-6-8-18/h4-12,15-16,28H,3,13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176576
(2-morpholinoethyl 3-cyano-4-(4-(3-methoxyphenoxy)p...)Show SMILES COc1cccc(Oc2ccc(Nc3c(cnn4cc(NC(=O)OCCN5CCOCC5)c(C)c34)C#N)cc2)c1 Show InChI InChI=1S/C29H30N6O5/c1-20-26(33-29(36)39-15-12-34-10-13-38-14-11-34)19-35-28(20)27(21(17-30)18-31-35)32-22-6-8-23(9-7-22)40-25-5-3-4-24(16-25)37-2/h3-9,16,18-19,32H,10-15H2,1-2H3,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176571
(CHEMBL201819 | N-(3-cyano-5-methyl-4-(4-phenoxyphe...)Show SMILES CC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C23H19N5O2/c1-15-21(26-16(2)29)14-28-23(15)22(17(12-24)13-25-28)27-18-8-10-20(11-9-18)30-19-6-4-3-5-7-19/h3-11,13-14,27H,1-2H3,(H,26,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176603
(CHEMBL380765 | ethyl 3-cyano-5-methyl-4-(4-phenoxy...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C24H20N4O3/c1-3-30-24(29)21-15-28-23(16(21)2)22(17(13-25)14-26-28)27-18-9-11-20(12-10-18)31-19-7-5-4-6-8-19/h4-12,14-15,27H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176575
(3-cyano-5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo...)Show SMILES Cc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(O)=O Show InChI InChI=1S/C22H16N4O3/c1-14-19(22(27)28)13-26-21(14)20(15(11-23)12-24-26)25-16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-10,12-13,25H,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 147 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176584
(6-(1H-benzo[d]imidazol-2-yl)-5-methyl-4-(4-phenoxy...)Show SMILES Cc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)-c1nc2ccccc2[nH]1 Show InChI InChI=1S/C28H20N6O/c1-18-23(28-32-24-9-5-6-10-25(24)33-28)17-34-27(18)26(19(15-29)16-30-34)31-20-11-13-22(14-12-20)35-21-7-3-2-4-8-21/h2-14,16-17,31H,1H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 168 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176601
(6-hydroxy-5-methyl-4-(4-phenoxyphenylamino)H-pyrro...)Show SMILES Cc1c(O)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C21H16N4O2/c1-14-19(26)13-25-21(14)20(15(11-22)12-23-25)24-16-7-9-18(10-8-16)27-17-5-3-2-4-6-17/h2-10,12-13,24,26H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 181 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176583
(6-amino-5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo...)Show SMILES Cc1c(N)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C21H17N5O/c1-14-19(23)13-26-21(14)20(15(11-22)12-24-26)25-16-7-9-18(10-8-16)27-17-5-3-2-4-6-17/h2-10,12-13,25H,23H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176591
(CHEMBL382456 | ethyl 3-cyano-5-(methoxymethyl)-4-(...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1COC Show InChI InChI=1S/C25H22N4O4/c1-3-32-25(30)21-15-29-24(22(21)16-31-2)23(17(13-26)14-27-29)28-18-9-11-20(12-10-18)33-19-7-5-4-6-8-19/h4-12,14-15,28H,3,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176560
(CHEMBL201186 | ethyl 3-cyano-5-(hydroxymethyl)-4-(...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1CO Show InChI InChI=1S/C24H20N4O4/c1-2-31-24(30)20-14-28-23(21(20)15-29)22(16(12-25)13-26-28)27-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-11,13-14,27,29H,2,15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176581
(5-methyl-4-(4-phenoxyphenylamino)H-pyrrolo[1,2-b]p...)Show InChI InChI=1S/C21H16N4O/c1-15-11-12-25-21(15)20(16(13-22)14-23-25)24-17-7-9-19(10-8-17)26-18-5-3-2-4-6-18/h2-12,14,24H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 241 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176602
(CHEMBL371969 | ethyl 3-cyano-5-(ethoxymethyl)-4-(4...)Show SMILES CCOCc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(=O)OCC Show InChI InChI=1S/C26H24N4O4/c1-3-32-17-23-22(26(31)33-4-2)16-30-25(23)24(18(14-27)15-28-30)29-19-10-12-21(13-11-19)34-20-8-6-5-7-9-20/h5-13,15-16,29H,3-4,17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176570
(5-methyl-4-(4-phenoxyphenylamino)-6-(phenylamino)H...)Show SMILES Cc1c(Nc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H21N5O/c1-19-25(30-21-8-4-2-5-9-21)18-32-27(19)26(20(16-28)17-29-32)31-22-12-14-24(15-13-22)33-23-10-6-3-7-11-23/h2-15,17-18,30-31H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 361 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176573
(3-cyano-5-methyl-N-(2-morpholinoethyl)-4-(4-phenox...)Show SMILES Cc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H28N6O3/c1-20-25(28(35)30-11-12-33-13-15-36-16-14-33)19-34-27(20)26(21(17-29)18-31-34)32-22-7-9-24(10-8-22)37-23-5-3-2-4-6-23/h2-10,18-19,32H,11-16H2,1H3,(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 386 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176562
(3-cyano-N,5-dimethyl-4-(4-phenoxyphenylamino)H-pyr...)Show SMILES CNC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C23H19N5O2/c1-15-20(23(29)25-2)14-28-22(15)21(16(12-24)13-26-28)27-17-8-10-19(11-9-17)30-18-6-4-3-5-7-18/h3-11,13-14,27H,1-2H3,(H,25,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 397 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176566
(5-methyl-6-(2-morpholinoethoxy)-4-(4-phenoxyphenyl...)Show SMILES Cc1c(OCCN2CCOCC2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H27N5O3/c1-20-25(34-16-13-31-11-14-33-15-12-31)19-32-27(20)26(21(17-28)18-29-32)30-22-7-9-24(10-8-22)35-23-5-3-2-4-6-23/h2-10,18-19,30H,11-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 521 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176599
(CHEMBL201302 | ethyl 3-cyano-5-((2-methoxyethoxy)m...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1COCCOC Show InChI InChI=1S/C27H26N4O5/c1-3-35-27(32)23-17-31-26(24(23)18-34-14-13-33-2)25(19(15-28)16-29-31)30-20-9-11-22(12-10-20)36-21-7-5-4-6-8-21/h4-12,16-17,30H,3,13-14,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 566 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176578
(CHEMBL203414 | ethyl 4-(4-(4-chlorophenoxy)phenyla...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccc(Cl)cc4)cc3)c2c1C Show InChI InChI=1S/C24H19ClN4O3/c1-3-31-24(30)21-14-29-23(15(21)2)22(16(12-26)13-27-29)28-18-6-10-20(11-7-18)32-19-8-4-17(25)5-9-19/h4-11,13-14,28H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 642 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176563
(6-methoxy-5-methyl-4-(4-phenoxyphenylamino)H-pyrro...)Show SMILES COc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C22H18N4O2/c1-15-20(27-2)14-26-22(15)21(16(12-23)13-24-26)25-17-8-10-19(11-9-17)28-18-6-4-3-5-7-18/h3-11,13-14,25H,1-2H3 | 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 | 805 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176597
(CHEMBL202545 | ethyl 4-(4-benzoylphenylamino)-3-cy...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(cc3)C(=O)c3ccccc3)c2c1C Show InChI InChI=1S/C25H20N4O3/c1-3-32-25(31)21-15-29-23(16(21)2)22(19(13-26)14-27-29)28-20-11-9-18(10-12-20)24(30)17-7-5-4-6-8-17/h4-12,14-15,28H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176577
(CHEMBL201246 | ethyl 3-cyano-5-methyl-4-(4-(phenyl...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Nc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C24H21N5O2/c1-3-31-24(30)21-15-29-23(16(21)2)22(17(13-25)14-26-29)28-20-11-9-19(10-12-20)27-18-7-5-4-6-8-18/h4-12,14-15,27-28H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176579
(CHEMBL383098 | ethyl 3-cyano-5-methyl-4-(3-phenoxy...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3cccc(Oc4ccccc4)c3)c2c1C Show InChI InChI=1S/C24H20N4O3/c1-3-30-24(29)21-15-28-23(16(21)2)22(17(13-25)14-26-28)27-18-8-7-11-20(12-18)31-19-9-5-4-6-10-19/h4-12,14-15,27H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176587
(CHEMBL202128 | ethyl 5-methyl-4-(4-phenoxyphenylam...)Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C22H20N4O3/c1-3-28-22(27)19-13-26-20(15(19)2)21(23-14-24-26)25-16-9-11-18(12-10-16)29-17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,24,25) | 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 | 3.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176590
(CHEMBL201780 | ethyl 3-cyano-5-methyl-4-(4-phenoxy...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Oc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C24H19N3O4/c1-3-29-24(28)21-15-27-22(16(21)2)23(17(13-25)14-26-27)31-20-11-9-19(10-12-20)30-18-7-5-4-6-8-18/h4-12,14-15H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176594
(6-(benzylamino)-5-methyl-4-(4-phenoxyphenylamino)H...)Show SMILES Cc1c(NCc2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C28H23N5O/c1-20-26(30-17-21-8-4-2-5-9-21)19-33-28(20)27(22(16-29)18-31-33)32-23-12-14-25(15-13-23)34-24-10-6-3-7-11-24/h2-15,18-19,30,32H,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176561
(CHEMBL204147 | N-(3-cyano-5-methyl-4-(4-phenoxyphe...)Show SMILES Cc1c(NS(=O)(=O)c2ccccc2)cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12 Show InChI InChI=1S/C27H21N5O3S/c1-19-25(31-36(33,34)24-10-6-3-7-11-24)18-32-27(19)26(20(16-28)17-29-32)30-21-12-14-23(15-13-21)35-22-8-4-2-5-9-22/h2-15,17-18,30-31H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176568
(CHEMBL202211 | ethyl 4-(4-(benzyloxy)phenylamino)-...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(OCc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C25H22N4O3/c1-3-31-25(30)22-15-29-24(17(22)2)23(19(13-26)14-27-29)28-20-9-11-21(12-10-20)32-16-18-7-5-4-6-8-18/h4-12,14-15,28H,3,16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176589
(5-methyl-3-(methylsulfonamidomethyl)-4-(4-phenoxyp...)Show SMILES Cc1c(cn2ncc(CNS(C)(=O)=O)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(O)=O Show InChI InChI=1S/C23H22N4O5S/c1-15-20(23(28)29)14-27-22(15)21(16(12-24-27)13-25-33(2,30)31)26-17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h3-12,14,25-26H,13H2,1-2H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176585
(CHEMBL202142 | ethyl 4-(4-phenoxybenzylamino)-3-cy...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(NCc3ccc(Oc4ccccc4)cc3)c2c1C Show InChI InChI=1S/C25H22N4O3/c1-3-31-25(30)22-16-29-24(17(22)2)23(19(13-26)15-28-29)27-14-18-9-11-21(12-10-18)32-20-7-5-4-6-8-20/h4-12,15-16,27H,3,14H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176596
(4-(biphenyl-4-ylamino)-3-cyano-5-methyl-pyrrolo[1,...)Show SMILES CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(cc3)-c3ccccc3)c2c1C Show InChI InChI=1S/C24H20N4O2/c1-3-30-24(29)21-15-28-23(16(21)2)22(19(13-25)14-26-28)27-20-11-9-18(10-12-20)17-7-5-4-6-8-17/h4-12,14-15,27H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176574
(6-(2-hydroxypropan-2-yl)-5-methyl-4-(4-phenoxyphen...)Show SMILES Cc1c(cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(C)(C)O Show InChI InChI=1S/C24H22N4O2/c1-16-21(24(2,3)29)15-28-23(16)22(17(13-25)14-26-28)27-18-9-11-20(12-10-18)30-19-7-5-4-6-8-19/h4-12,14-15,27,29H,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176600
(CHEMBL377497 | ethyl 3-cyano-5-methyl-4-(phenylami...)Show InChI InChI=1S/C18H16N4O2/c1-3-24-18(23)15-11-22-17(12(15)2)16(13(9-19)10-20-22)21-14-7-5-4-6-8-14/h4-8,10-11,21H,3H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176582
(3-(acetamidomethyl)-5-methyl-4-(4-phenoxyphenylami...)Show SMILES CC(=O)NCc1cnn2cc(C(O)=O)c(C)c2c1Nc1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H22N4O4/c1-15-21(24(30)31)14-28-23(15)22(17(13-26-28)12-25-16(2)29)27-18-8-10-20(11-9-18)32-19-6-4-3-5-7-19/h3-11,13-14,27H,12H2,1-2H3,(H,25,29)(H,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50176598
(3-(aminomethyl)-5-methyl-4-(4-phenoxyphenylamino)H...)Show SMILES Cc1c(cn2ncc(CN)c(Nc3ccc(Oc4ccccc4)cc3)c12)C(O)=O Show InChI InChI=1S/C22H20N4O3/c1-14-19(22(27)28)13-26-21(14)20(15(11-23)12-24-26)25-16-7-9-18(10-8-16)29-17-5-3-2-4-6-17/h2-10,12-13,25H,11,23H2,1H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory activity against MEK |
Bioorg Med Chem Lett 16: 628-32 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.052
BindingDB Entry DOI: 10.7270/Q2J67GHT |
More data for this
Ligand-Target Pair | |
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