Found 15 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 |
|---|
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460066
(CHEMBL4229260)Show InChI InChI=1S/C17H13F2IN2O4/c18-12-8-10(20)1-2-13(12)21-15-11(17(24)22-26-6-4-23)7-9-3-5-25-16(9)14(15)19/h1-3,5,7-8,21,23H,4,6H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460069
(CHEMBL4228425)Show SMILES OC[C@@H](O)CONC(=O)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H15F2IN2O5/c19-13-6-10(21)1-2-14(13)22-16-12(18(26)23-28-8-11(25)7-24)5-9-3-4-27-17(9)15(16)20/h1-6,11,22,24-25H,7-8H2,(H,23,26)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460062
(CHEMBL4225654)Show InChI InChI=1S/C17H15F2IN2O4/c18-12-8-10(20)1-2-13(12)21-15-11(17(24)22-26-6-4-23)7-9-3-5-25-16(9)14(15)19/h1-2,7-8,21,23H,3-6H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460059
(CHEMBL4226300)Show SMILES OC[C@H](O)CONC(=O)c1cc2CCOc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F2IN2O5/c19-13-6-10(21)1-2-14(13)22-16-12(18(26)23-28-8-11(25)7-24)5-9-3-4-27-17(9)15(16)20/h1-2,5-6,11,22,24-25H,3-4,7-8H2,(H,23,26)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460061
(CHEMBL4225401)Show SMILES OC[C@@H](O)CONC(=O)c1cc2CCOc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F2IN2O5/c19-13-6-10(21)1-2-14(13)22-16-12(18(26)23-28-8-11(25)7-24)5-9-3-4-27-17(9)15(16)20/h1-2,5-6,11,22,24-25H,3-4,7-8H2,(H,23,26)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460067
(CHEMBL4228161)Show SMILES CC(C)(CO)ONC(=O)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H17F2IN2O4/c1-19(2,9-25)28-24-18(26)12-7-10-5-6-27-17(10)15(21)16(12)23-14-4-3-11(22)8-13(14)20/h3-8,23,25H,9H2,1-2H3,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50355497
(AZD-6244 | CHEMBL1614701)Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
| PDB
Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460068
(CHEMBL4228999)Show SMILES OCC(CO)ONC(=O)c1cc2ccoc2c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C18H15F2IN2O5/c19-13-6-10(21)1-2-14(13)22-16-12(18(26)23-28-11(7-24)8-25)5-9-3-4-27-17(9)15(16)20/h1-6,11,22,24-25H,7-8H2,(H,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460064
(CHEMBL4225180)Show InChI InChI=1S/C17H15ClFIN2O4/c18-14-15(21-13-2-1-10(20)8-12(13)19)11(17(24)22-26-6-4-23)7-9-3-5-25-16(9)14/h1-2,7-8,21,23H,3-6H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460072
(CHEMBL4225400)Show InChI InChI=1S/C18H15F2IN2O4/c19-13-9-11(21)2-3-14(13)22-16-12(18(25)23-27-6-1-5-24)8-10-4-7-26-17(10)15(16)20/h2-4,7-9,22,24H,1,5-6H2,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460065
(CHEMBL4228687)Show InChI InChI=1S/C17H16FIN2O4/c18-13-8-11(19)1-2-14(13)20-15-9-16-10(3-5-24-16)7-12(15)17(23)21-25-6-4-22/h1-2,7-9,20,22H,3-6H2,(H,21,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460070
(CHEMBL4227816)Show InChI InChI=1S/C17H15BrClFN2O4/c18-10-1-2-13(12(19)8-10)21-15-11(17(24)22-26-6-4-23)7-9-3-5-25-16(9)14(15)20/h1-2,7-8,21,23H,3-6H2,(H,22,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 441 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460071
(CHEMBL4224923)Show SMILES O[C@H]1CON(C1)C(=O)c1cc2CCOc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H15F2IN2O4/c19-13-6-10(21)1-2-14(13)22-16-12(18(25)23-7-11(24)8-27-23)5-9-3-4-26-17(9)15(16)20/h1-2,5-6,11,22,24H,3-4,7-8H2/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460060
(CHEMBL4227199)Show SMILES OC[C@H](O)CNC(=O)c1cc2CCOc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F2IN2O4/c19-13-6-10(21)1-2-14(13)23-16-12(18(26)22-7-11(25)8-24)5-9-3-4-27-17(9)15(16)20/h1-2,5-6,11,23-25H,3-4,7-8H2,(H,22,26)/t11-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50460063
(CHEMBL4226967)Show SMILES OC[C@@H](O)CNC(=O)c1cc2CCOc2c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C18H17F2IN2O4/c19-13-6-10(21)1-2-14(13)23-16-12(18(26)22-7-11(25)8-24)5-9-3-4-27-17(9)15(16)20/h1-2,5-6,11,23-25H,3-4,7-8H2,(H,22,26)/t11-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Hengrui Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of MEK1 (unknown origin) using Ser/Thr 03 peptide substrate after 4 hrs by fluorescence assay |
Bioorg Med Chem 26: 581-589 (2018)
Article DOI: 10.1016/j.bmc.2017.12.019
BindingDB Entry DOI: 10.7270/Q2DN47P8 |
More data for this
Ligand-Target Pair | |
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