Affinity Data by PDB ID

PDB code 3VVH

Identical Ligands in BindingDB

Found 9 hits 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dual specificity mitogen-activated protein kinase kinase 1 (328/332 = 99%)^† (Mus musculus)	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of MEK1 in mouse colon 26 cells assessed as reduction in ERK1/2 phosphorylation after 1 hr by Western blot analysis				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cR...				ACS Med Chem Lett 3: 416-421 (2012) Article DOI: 10.1021/ml300049d BindingDB Entry DOI: 10.7270/Q2GT5P80
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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 US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Chugai Seiyaku Kabushiki Kaisha US Patent					Assay Description Inhibition assay using MEK kinase.				US Patent US8575391 (2013) BindingDB Entry DOI: 10.7270/Q22B8WPF
Chugai Seiyaku Kabushiki Kaisha US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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
Bayer HealthCare AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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
Bayer HealthCare AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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	15	n/a	n/a	n/a	n/a	n/a	n/a
The University of Michigan Medical School Curated by ChEMBL					Assay Description Inhibition of purified MEK1 (unknown origin) assessed as reduction in phosphorylation of inactive Erk2 incubated for 30 mins by Kinase-Glo luminescen...				J Med Chem 59: 2512-22 (2016) Article DOI: 10.1021/acs.jmedchem.5b01655 BindingDB Entry DOI: 10.7270/Q2FB54W9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged MEK1 expressed in baculovirus infected Sf9 insect cells using inactive ERK2 as substrate preincubated for ...				ACS Med Chem Lett 8: 808-813 (2017) Article DOI: 10.1021/acsmedchemlett.7b00111 BindingDB Entry DOI: 10.7270/Q29W0J00
University of Michigan Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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	n/a	31	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in absence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (332/332 = 100%)^† (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 \| US11147816, PD0325901 \| US11701360,...) Show SMILES Show InChI	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	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to MEK1 by surface plasmon resonance in presence of ATP				Bioorg Med Chem Lett 21: 1795-801 (2011) Article DOI: 10.1016/j.bmcl.2011.01.062 BindingDB Entry DOI: 10.7270/Q2R49R27
Chugai Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output