SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 308.3
BDBM23738

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

Found 7 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
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	8.0	22
Peking University					Assay Description Phospholipase A2 was assayed using unlabeled lipids as substrate and 1-anilinonaphthalene-8-sulfonate (ANS) as a probe for the interfacial reaction. ...				J Med Chem 51: 3360-6 (2008) Article DOI: 10.1021/jm7010707 BindingDB Entry DOI: 10.7270/Q2P26WFC
Peking University					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Human Nonpancreatic Secretory Phospholipase A2 through Chromogenic assay				J Med Chem 39: 5119-36 (1997) Article DOI: 10.1021/jm960485v BindingDB Entry DOI: 10.7270/Q2542MQ5
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human nonpancreatic secretory phospholipase A2 using 1,2-dimyristoyl-sn-glycero-3-phosphocholine as substrate after 10 mins by spectrop...				Eur J Med Chem 59: 160-7 (2013) Article DOI: 10.1016/j.ejmech.2012.10.057 BindingDB Entry DOI: 10.7270/Q27P90QH
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Phospholipase A2, membrane associated (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human non-pancreatic sPLA2 using 1,2-dimyristoyl-sn-glycero-3-phosphocholine substrate after 5 mins by continuous fluorescence assay				Bioorg Med Chem 19: 3361-6 (2011) Article DOI: 10.1016/j.bmc.2011.04.039 BindingDB Entry DOI: 10.7270/Q2XG9RH2
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4H epoxide hydrolase activity using LTA4 as substrate incubated for 15 mins prior to substrate addition measured after 10 mins...				Eur J Med Chem 59: 160-7 (2013) Article DOI: 10.1016/j.ejmech.2012.10.057 BindingDB Entry DOI: 10.7270/Q27P90QH
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human LTA4H aminopeptidase activity using Ala-p-nitroanilide as substrate incubated for 2 mins prior to substrate addition measured for...				Eur J Med Chem 59: 160-7 (2013) Article DOI: 10.1016/j.ejmech.2012.10.057 BindingDB Entry DOI: 10.7270/Q27P90QH
Peking University Curated by ChEMBL					More data for this Ligand-Target Pair
Oxysterols receptor LXR-alpha (Homo sapiens (Human))	BDBM23738 (2-(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)aceta...) Show SMILES COc1ccc2n(Cc3ccccc3)c(C)c(CC(N)=O)c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA					Assay Description Polyhistidine-tagged human LXR ligand-binding domain was mixed with the test compound, biotin-SRC1 peptide, streptavidin-allophycocyanin, and europiu...				Bioorg Med Chem Lett 17: 3473-9 (2007) Article DOI: 10.1016/j.bmcl.2007.03.076 BindingDB Entry DOI: 10.7270/Q2HD7T00
Tanabe Research Laboratories USA					More data for this Ligand-Target Pair