BDBM50177405 3-methoxy-4-hydroxybenzaldehyde::4-hydroxy-3-methoxybenzaldehyde::4-hydroxy-m-anisaldehyde::CHEMBL13883::p-hydroxy-m-methoxybenzaldehyde::p-vanillin::vanillin

SMILES: COc1cc(C=O)ccc1O

InChI Key: InChIKey=MWOOGOJBHIARFG-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 13 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50177405   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chorismate mutase (MTB CM) (Mycobacterium tuberculosis H37Rv)	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	7.5	37
Birla Institute of Technology & Science-Pilani					Assay Description Reaction volumes of 0.4 mL of chorismate (typically, 1 mM) in 50 mM Tris-HCl (pH 7.5), 0.5 mM EDTA, 0.1 mg/mL bovine serum albumin, and 10 mM β-...				J Enzyme Inhib Med Chem 29: 547-54 (2014) Article DOI: 10.3109/14756366.2013.823958 BindingDB Entry DOI: 10.7270/Q2MW2G15
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation				Bioorg Med Chem Lett 22: 5352-9 (2012) Article DOI: 10.1016/j.bmcl.2012.06.053 BindingDB Entry DOI: 10.7270/Q23J3F2G
					More data for this Ligand-Target Pair
Androgen receptor (Rattus norvegicus (Rat))	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>4.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
					More data for this Ligand-Target Pair
Gamma-amino-N-butyrate transaminase (Homo sapiens (Human))	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity against GABAT				Bioorg Med Chem Lett 16: 592-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.040 BindingDB Entry DOI: 10.7270/Q29G5MCH
					More data for this Ligand-Target Pair
Pancreatic lipase (Sus scrofa (Pig))	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
Daegu Haany University Curated by ChEMBL					Assay Description Inhibition of pig pancreatic lipase assessed as p-NPB hydrolysis by ELISA				Bioorg Med Chem Lett 21: 1512-4 (2011) Article DOI: 10.1016/j.bmcl.2010.12.122 BindingDB Entry DOI: 10.7270/Q2GQ6Z1H
					More data for this Ligand-Target Pair
Succinate semialdehyde dehydrogenase (Homo sapiens (Human))	BDBM50177405 (3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...) Show SMILES COc1cc(C=O)ccc1O Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibitory activity against SSADH				Bioorg Med Chem Lett 16: 592-5 (2005) Article DOI: 10.1016/j.bmcl.2005.10.040 BindingDB Entry DOI: 10.7270/Q29G5MCH
					More data for this Ligand-Target Pair