BDBM50139370 4-Methoxy-benzaldehyde::4-methoxybenzaldehyde::CHEMBL161598

SMILES: COc1ccc(C=O)cc1

InChI Key: InChIKey=ZRSNZINYAWTAHE-UHFFFAOYSA-N

Data: 6 IC50

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 = 50139370   

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
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against human cytochrome P450 2A6				J Med Chem 48: 440-9 (2005) Article DOI: 10.1021/jm049536b BindingDB Entry DOI: 10.7270/Q20C4WJV
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity of the compound was evaluated against the oxidation of L-3,4-dihydroxyphenylalanine (L-DOPA) catalyzed by mushroom tyrosinase				Bioorg Med Chem Lett 14: 681-3 (2004) BindingDB Entry DOI: 10.7270/Q27S7N6X
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human cytochrome P450 1A2				J Med Chem 48: 3808-15 (2005) Article DOI: 10.1021/jm0489713 BindingDB Entry DOI: 10.7270/Q2R2125K
					More data for this Ligand-Target Pair
Gamma-amino-N-butyrate transaminase (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	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
Cytochrome P450 2A5 (Mus musculus)	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibitory concentration against mouse cytochrome P450 2A5				J Med Chem 48: 440-9 (2005) Article DOI: 10.1021/jm049536b BindingDB Entry DOI: 10.7270/Q20C4WJV
					More data for this Ligand-Target Pair
Succinate semialdehyde dehydrogenase (Homo sapiens (Human))	BDBM50139370 (4-Methoxy-benzaldehyde | 4-methoxybenzaldehyde | C...) Show SMILES COc1ccc(C=O)cc1 Show InChI InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	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