SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 399.5
BDBM50173609

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display
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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of p38 alpha (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113277 BindingDB Entry DOI: 10.7270/Q2VX0M8Q
TBA					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against mitogen-activated protein kinase p38 alpha				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research; National University of Singapore US Patent					Assay Description Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...				US Patent US10865384 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KRZ
					More data for this Ligand-Target Pair
Casein kinase I isoform epsilon (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Agency for Science, Technology and Research; National University of Singapore US Patent					Assay Description Table 3: Small molecules were tested for their inhibitory activities towards casein kinase 1 delta (CK1δ) and 1 epsilon (CK1ϵ). The in vit...				US Patent US10865384 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5KRZ
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38-beta				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of MAPK p38 in human THP1 cells assessed as reduction in LPS-induced TNFalpha production preincubated for 60 mins followed by LPS addition...				Bioorg Med Chem 26: 647-660 (2018) Article DOI: 10.1016/j.bmc.2017.12.031 BindingDB Entry DOI: 10.7270/Q2XP77K2
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human FLAG-tagged p38alpha expressed in baculovirus expression system using GFP-ATF2 (19 to 96 residues) as substrate prein...				Bioorg Med Chem 26: 647-660 (2018) Article DOI: 10.1016/j.bmc.2017.12.031 BindingDB Entry DOI: 10.7270/Q2XP77K2
Takeda Pharmaceutical Company Limited Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 1 (MEKK1)				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 12 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38-gamma				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against c-Jun N-terminal kinase 1				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 3 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase 3				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against I-kappa-B kinase beta				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 13 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against mitogen-activated protein kinase p38-delta				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 3 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Inhibitory concentration against Mitogen-activated protein kinase kinase kinase 7 (TAK1)				J Med Chem 48: 5966-79 (2005) Article DOI: 10.1021/jm050165o BindingDB Entry DOI: 10.7270/Q2G160DZ
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	D3R	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2022				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4TSS
TBA					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50173609 (CHEMBL363648 \| D3RKN_11 \| N-[4-(2-Ethyl-4-m-tolyl-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	D3R	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description D3R2021				Citation and Details BindingDB Entry DOI: 10.7270/Q2DJ5KHH
TBA					More data for this Ligand-Target Pair