SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 333.3
BDBM50242512

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

Found 14 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
Epidermal growth factor receptor (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of EGFR (unknown origin) using poly(Glu,Tyr)4:1 as substrate in presence of [gamma-33P]-ATP after 60 mins by scintillation counting analys...				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MARK1 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of MARK1 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Death-associated protein kinase 1 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of DAPK1 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 2 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of MEKK2 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Protein kinase C alpha type (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of PKC alpha (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Myotonin-protein kinase (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of DMPK (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase receptor R3 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of ALK1 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 1 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of IRAK (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of CK1 alpha (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 21 (Homo sapiens)	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of MLK4 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of c-Abl (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50242512 (CHEMBL4098682) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of Wee1 (unknown origin)				Bioorg Med Chem Lett 27: 2708-2712 (2017) Article DOI: 10.1016/j.bmcl.2017.04.053 BindingDB Entry DOI: 10.7270/Q2J67KBT
					More data for this Ligand-Target Pair