SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.3
BDBM50255012

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

Found 13 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
Aurora kinase A (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to Aurora A (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to TRAK-A (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to MAP3K9 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to VEGFR2 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Ephrin type-A receptor 2 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to ECK (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to LCK (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to MST2 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to ABL (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to FGFR1 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to CLK1 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to SRC (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C beta type (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to PKC beta2 (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50255012 (5-((4-(methylsulfonyl)benzylamino)methyl)-3,4-difl...) 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	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to BTK (unknown origin)				Bioorg Med Chem Lett 19: 226-9 (2008) Article DOI: 10.1016/j.bmcl.2008.10.108 BindingDB Entry DOI: 10.7270/Q22F7N98
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair