SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 267.3
BDBM468982

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

Found 9 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
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL US Patent					Assay Description The following reagents were prepared:Reagents500 mM CHES, pH 9 (with NaOH), filtered (MW=207.29)20.7 g in 200 ml in dH2O10% Pluronic F-127 (store at ...				US Patent US10995088 (2021) BindingDB Entry DOI: 10.7270/Q2125WSK
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...				Citation and Details BindingDB Entry DOI: 10.7270/Q25M69MF
TBA					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research: Royal Cancer Hospital US Patent					Assay Description LOXL2 batch is obtained from R&D systems/Bio-techne. Incubate for 20 min at room temp on a plate shaker.				US Patent US10807974 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QS8
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description MAO-Glo Assay Kit: Promega, Cat No. V1402MAO-A Enzyme: Promega, Cat No. V1452Clorgyline: Sigma, Cat No. M3778 (50 mg)Assay Plates:96 well white polys...				Citation and Details BindingDB Entry DOI: 10.7270/Q25M69MF
TBA					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL US Patent					Assay Description 10. Incubate for 20 hrs at room temp on a plate shaker, protected from light.				US Patent US10995088 (2021) BindingDB Entry DOI: 10.7270/Q2125WSK
					More data for this Ligand-Target Pair
Lysyl oxidase homolog 2 (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research: Royal Cancer Hospital US Patent					Assay Description LOXL2 batch is obtained from R&D systems/Bio-techne. Incubate for 20 hours at room temp on a plate shaker.				US Patent US10807974 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QS8
					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Homo sapiens (Human))	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL US Patent					Assay Description The following reagents were prepared:Reagents500 mM CHES, pH 9 (with NaOH), filtered (MW=207.29)20.7 g in 200 ml in dH2O10% Pluronic F-127 (store at ...				US Patent US10995088 (2021) BindingDB Entry DOI: 10.7270/Q2125WSK
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX15 (Sus scrofa)	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.Assay Plates:Black, flat bottom 96 well platesProcedure:1. Dilute LOX en...				Citation and Details BindingDB Entry DOI: 10.7270/Q25M69MF
TBA					More data for this Ligand-Target Pair
Protein-lysine 6-oxidase (Sus scrofa)	BDBM468982 (US10807974, Example 1 \| US10995088, Example 1 \| US...) Show SMILES NCc1ccc(s1)S(=O)(=O)Cc1ccccc1 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research: Royal Cancer Hospital US Patent					Assay Description LOX enzyme was obtained from pig skin by the method of Shackleton et al 1990.				US Patent US10807974 (2020) BindingDB Entry DOI: 10.7270/Q2TH8QS8
					More data for this Ligand-Target Pair