Found 139 hits with Last Name = 'hartung' and Initial = 'iv' 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 |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180955
(CHEMBL3818617)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Competitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using varying levels of Btn-Ahx-GSRAHSSHLKSKK... |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180955
(CHEMBL3818617)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Uncompetitive inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using fixed levels of Btn-Ahx-GSRAHSSHLKSKK... |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134989
(CHEMBL3746640)Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134989
(CHEMBL3746640)Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31) | 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 | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in human HeLa-MaTu-ADR matched pair cells assessed as reduction in ERK phosphorylation |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50181506
(CHEMBL3819038)Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCc1cccc(Cl)c1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C23H24Cl2N6O2/c1-2-30(21(33)14-32)20-13-31(29-22(20)17-6-8-18(24)9-7-17)23(28-15-26)27-11-10-16-4-3-5-19(25)12-16/h3-9,12,20,32H,2,10-11,13-14H2,1H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Antagonist activity at PAR1 (unknown origin) |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134978
(CHEMBL3747294)Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H18F3IN4O4S/c1-29(2)34(31,32)28-12-4-3-5-13(9-12)33-17-10-15(23)19(24)20(18(17)21(26)30)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,1-2H3,(H2,26,30) | 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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134968
(CHEMBL3746569)Show SMILES NCCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c22-12-8-18(27-17-5-4-13(24)10-16(17)23)20(21(26)29)19(9-12)32-15-3-1-2-14(11-15)28-33(30,31)7-6-25/h1-5,8-11,27-28H,6-7,25H2,(H2,26,29) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134971
(CHEMBL3747066)Show SMILES CCS(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-17-10-15(23)19(24)20(18(17)21(26)29)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM104963
(CHEMBL507361 | US11147816, PD0325901 | US11701360,...)Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490986
(CHEMBL2376674)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCC[C@@H](O)Cn1cccn1 |r| Show InChI InChI=1S/C20H19F2IN4O3/c21-12-8-17(26-16-3-2-13(23)10-15(16)22)19(20(24)29)18(9-12)30-7-4-14(28)11-27-6-1-5-25-27/h1-3,5-6,8-10,14,26,28H,4,7,11H2,(H2,24,29)/t14-/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134976
(CHEMBL3746736)Show SMILES NC(=O)c1c(Oc2cccc(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H14F3IN4O4S/c20-12-6-9(23)4-5-14(12)26-18-16(19(24)28)15(8-13(21)17(18)22)31-11-3-1-2-10(7-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134925
(CHEMBL2376666)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134925
(CHEMBL2376666)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134986
(CHEMBL3746559)Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H13F4IN4O4S/c20-10-3-2-9(6-14(10)28-33(26,30)31)32-15-7-12(22)17(23)18(16(15)19(25)29)27-13-4-1-8(24)5-11(13)21/h1-7,27-28H,(H2,25,29)(H2,26,30,31) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50135016
(CHEMBL3747047)Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490963
(CHEMBL2376661)Show SMILES CCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H18F2IN3O4S/c1-2-32(29,30)27-14-4-3-5-15(11-14)31-19-9-12(22)8-18(20(19)21(25)28)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,2H2,1H3,(H2,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134973
(CHEMBL3746467)Show SMILES CCS(=O)(=O)Nc1cccc(Oc2c(F)c(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-20-18(21(26)29)17(10-15(23)19(20)24)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50075102
(CHEMBL3414623)Show SMILES Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12 Show InChI InChI=1S/C36H42N6O/c1-28-27-42(34-11-4-2-9-32(28)34)22-19-40-17-20-41(21-18-40)35-12-5-3-10-33(35)30-23-29(26-37)24-31(25-30)36(43)38-13-8-16-39-14-6-7-15-39/h2-5,9-12,23-25,27H,6-8,13-22H2,1H3,(H,38,43) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | <15 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Biotinaminohexanoyl-GSRAHSSHLKSKKGQSTSRH as substrate after 75 mi... |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134927
(CHEMBL3747136)Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-2-26-33(30,31)28-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)27-17-7-6-13(24)10-16(17)23/h3-11,26-28H,2H2,1H3,(H2,25,29) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134938
(CHEMBL3747256)Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490980
(CHEMBL2376675)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OCC[C@@H](O)Cn1ccnc1 |r| Show InChI InChI=1S/C20H19F2IN4O3/c21-12-7-17(26-16-2-1-13(23)9-15(16)22)19(20(24)29)18(8-12)30-6-3-14(28)10-27-5-4-25-11-27/h1-2,4-5,7-9,11,14,26,28H,3,6,10H2,(H2,24,29)/t14-/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 | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134939
(CHEMBL3747359)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Cl Show InChI InChI=1S/C19H14ClF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490972
(CHEMBL2376662)Show SMILES CC(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C22H20F2IN3O4S/c1-12(2)33(30,31)28-15-4-3-5-16(11-15)32-20-9-13(23)8-19(21(20)22(26)29)27-18-7-6-14(25)10-17(18)24/h3-12,27-28H,1-2H3,(H2,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180967
(CHEMBL3818487)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cc(F)cc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H19Cl2F3N6O3/c1-2-32(19(35)10-34)18-9-33(31-20(18)12-3-4-16(23)17(24)5-12)22(29-11-28)30-14-6-13(25)7-15(8-14)36-21(26)27/h3-8,18,21,34H,2,9-10H2,1H3,(H,29,30)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490977
(CHEMBL2375372)Show SMILES CS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C20H16F2IN3O4S/c1-31(28,29)26-13-3-2-4-14(10-13)30-18-8-11(21)7-17(19(18)20(24)27)25-16-6-5-12(23)9-15(16)22/h2-10,25-26H,1H3,(H2,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134989
(CHEMBL3746640)Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134926
(CHEMBL2376663)Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490985
(CHEMBL2376664)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(=O)(=O)N2CCCC2)c1 Show InChI InChI=1S/C23H21F2IN4O4S/c24-14-10-20(28-19-7-6-15(26)12-18(19)25)22(23(27)31)21(11-14)34-17-5-3-4-16(13-17)29-35(32,33)30-8-1-2-9-30/h3-7,10-13,28-29H,1-2,8-9H2,(H2,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134926
(CHEMBL2376663)Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29) | 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 | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134996
(CHEMBL3746031)Show SMILES NC(=O)c1c(Oc2cccc(CS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H15F3IN3O4S/c21-13-7-11(24)4-5-15(13)27-19-17(20(25)28)16(8-14(22)18(19)23)31-12-3-1-2-10(6-12)9-32(26,29)30/h1-8,27H,9H2,(H2,25,28)(H2,26,29,30) | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490974
(CHEMBL2376665 | US20230270730, Compound ref-2)Show SMILES CNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C20H17F2IN4O4S/c1-25-32(29,30)27-13-3-2-4-14(10-13)31-18-8-11(21)7-17(19(18)20(24)28)26-16-6-5-12(23)9-15(16)22/h2-10,25-27H,1H3,(H2,24,28) | 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 |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490969
(CHEMBL2376676)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OC[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H18F2IN3O2/c19-10-6-15(24-14-4-3-11(21)8-13(14)20)17(18(22)25)16(7-10)26-9-12-2-1-5-23-12/h3-4,6-8,12,23-24H,1-2,5,9H2,(H2,22,25)/t12-/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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180955
(CHEMBL3818617)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H20Cl2F2N6O3/c1-2-31(19(34)11-33)18-10-32(30-20(18)13-6-7-16(23)17(24)8-13)22(28-12-27)29-14-4-3-5-15(9-14)35-21(25)26/h3-9,18,21,33H,2,10-11H2,1H3,(H,28,29)/t18-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Inhibition of full length 6xHis-tagged SMYD2 (unknown origin) expressed in Escherichia coli using Btn-Ahx GSRAHSSHLKSKKGQSTSRH-amide as substrate aft... |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50135003
(CHEMBL3746103)Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2F)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H12F5IN4O4S/c20-8-2-4-12(16(24)17(8)29-34(27,31)32)33-13-6-10(22)15(23)18(14(13)19(26)30)28-11-3-1-7(25)5-9(11)21/h1-6,28-29H,(H2,26,30)(H2,27,31,32) | 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 | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490978
(CHEMBL2376684)Show SMILES CC(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H16F2IN3O3/c1-11(28)26-14-3-2-4-15(10-14)30-19-8-12(22)7-18(20(19)21(25)29)27-17-6-5-13(24)9-16(17)23/h2-10,27H,1H3,(H2,25,29)(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50181502
(CHEMBL3818510)Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\Nc1ccc(Cl)c(Cl)c1)=N/C#N)C(=O)COC |c:6| Show InChI InChI=1S/C22H21Cl3N6O2/c1-3-30(20(32)12-33-2)19-11-31(29-21(19)14-4-6-15(23)7-5-14)22(27-13-26)28-16-8-9-17(24)18(25)10-16/h4-10,19H,3,11-12H2,1-2H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Antagonist activity at PAR1 (unknown origin) |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50181504
(CHEMBL3818898)Show SMILES CCCCN\C(=N\C#N)N1CC(N(CC)C(=O)CO)C(=N1)c1ccc(Cl)cc1 |c:19| Show InChI InChI=1S/C19H25ClN6O2/c1-3-5-10-22-19(23-13-21)26-11-16(25(4-2)17(28)12-27)18(24-26)14-6-8-15(20)9-7-14/h6-9,16,27H,3-5,10-12H2,1-2H3,(H,22,23) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Antagonist activity at PAR1 (unknown origin) |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
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 | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134965
(CHEMBL2376667)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1 Show InChI InChI=1S/C20H16F2IN3O4S/c21-12-7-17(26-16-5-4-13(23)9-15(16)22)19(20(24)27)18(8-12)30-14-3-1-2-11(6-14)10-31(25,28)29/h1-9,26H,10H2,(H2,24,27)(H2,25,28,29) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134965
(CHEMBL2376667)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1 Show InChI InChI=1S/C20H16F2IN3O4S/c21-12-7-17(26-16-5-4-13(23)9-15(16)22)19(20(24)27)18(8-12)30-14-3-1-2-11(6-14)10-31(25,28)29/h1-9,26H,10H2,(H2,24,27)(H2,25,28,29) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134940
(CHEMBL3746537)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Br Show InChI InChI=1S/C19H14BrF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30) | 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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490964
(CHEMBL2376660)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2oc(=O)[nH]c2c1 Show InChI InChI=1S/C20H12F2IN3O4/c21-9-5-15(25-13-3-1-10(23)7-12(13)22)18(19(24)27)17(6-9)29-11-2-4-16-14(8-11)26-20(28)30-16/h1-8,25H,(H2,24,27)(H,26,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50134969
(CHEMBL3746923)Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CNS(N)(=O)=O)c1 Show InChI InChI=1S/C20H17F2IN4O4S/c21-12-7-17(27-16-5-4-13(23)9-15(16)22)19(20(24)28)18(8-12)31-14-3-1-2-11(6-14)10-26-32(25,29)30/h1-9,26-27H,10H2,(H2,24,28)(H2,25,29,30) | 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 | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis |
Bioorg Med Chem Lett 26: 186-93 (2015)
Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180973
(CHEMBL3819284)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(C)c1)C(\Nc1cccc(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C23H23ClF2N6O3/c1-3-31(20(34)12-33)19-11-32(30-21(19)15-7-8-18(24)14(2)9-15)23(28-13-27)29-16-5-4-6-17(10-16)35-22(25)26/h4-10,19,22,33H,3,11-12H2,1-2H3,(H,28,29)/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Proteinase-activated receptor 1
(Homo sapiens (Human)) | BDBM50181505
(CHEMBL3819204)Show SMILES CCN(C1CN(N=C1c1ccc(Cl)cc1)C(\NCCC1CC1)=N/C#N)C(=O)CO |c:6| Show InChI InChI=1S/C20H25ClN6O2/c1-2-26(18(29)12-28)17-11-27(20(24-13-22)23-10-9-14-3-4-14)25-19(17)15-5-7-16(21)8-6-15/h5-8,14,17,28H,2-4,9-12H2,1H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Antagonist activity at PAR1 (unknown origin) |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490981
(CHEMBL2376673)Show SMILES CC(C)(O)C(O)CCOc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C19H21F2IN2O4/c1-19(2,27)16(25)5-6-28-15-8-10(20)7-14(17(15)18(23)26)24-13-4-3-11(22)9-12(13)21/h3-4,7-9,16,24-25,27H,5-6H2,1-2H3,(H2,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |
N-lysine methyltransferase SMYD2
(Homo sapiens (Human)) | BDBM50180968
(CHEMBL3818080)Show SMILES CCN([C@H]1CN(N=C1c1ccc(Cl)c(Cl)c1)C(\Nc1ccc(Cl)c(OC(F)F)c1)=N/C#N)C(=O)CO |r,c:6| Show InChI InChI=1S/C22H19Cl3F2N6O3/c1-2-32(19(35)10-34)17-9-33(31-20(17)12-3-5-14(23)16(25)7-12)22(29-11-28)30-13-4-6-15(24)18(8-13)36-21(26)27/h3-8,17,21,34H,2,9-10H2,1H3,(H,29,30)/t17-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
BAYER Pharma AG
Curated by ChEMBL
| Assay Description Inhibition of SMYD2 (unknown origin) using H4 as substrate after 2hrs in presence 3H-SAM of by scintillation proximity assay |
J Med Chem 59: 4578-600 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01890 BindingDB Entry DOI: 10.7270/Q2RN39S5 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50490973
(CHEMBL2376686)Show SMILES CC(C)C(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C23H20F2IN3O3/c1-12(2)23(31)28-15-4-3-5-16(11-15)32-20-9-13(24)8-19(21(20)22(27)30)29-18-7-6-14(26)10-17(18)25/h3-12,29H,1-2H3,(H2,27,30)(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer HealthCare AG
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) after 2 hrs by fluorescence assay |
Bioorg Med Chem Lett 23: 2384-90 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR |
More data for this Ligand-Target Pair | |