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BDBM60953 BDBM50139371::benzaldehyde

SMILES: O=Cc1ccccc1

InChI Key: InChIKey=HUMNYLRZRPPJDN-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 16 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 60953
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Cytochrome P450 2A6 (Homo sapiens (Human))	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.92E+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
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	8.20E+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
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.77E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Agaricus bisporus (mushroom) tyrosinase				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Botulinum neurotoxin type A (Clostridium botulinum)	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	PDB MMDB NCI pathway Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
U.S. Army Medical Research Institute of Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of protease activity of recombinant full length Clostridium botulinum Hall BoNT/A light chain using SNAP-25 peptide (187 to 203 residues) ...				Bioorg Med Chem Lett 27: 675-678 (2017) BindingDB Entry DOI: 10.7270/Q2NP26PM
					More data for this Ligand-Target Pair
Aldehyde oxidase (Oryctolagus cuniculus)	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Oryctolagus cuniculus (rabbit) AOX in liver cytosol				J Agric Food Chem 59: 4860-7 (2011) Article DOI: 10.1021/jf200485k BindingDB Entry DOI: 10.7270/Q2QF8WR8
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2A5 (Mus musculus)	BDBM60953 (BDBM50139371 \| benzaldehyde) Show SMILES O=Cc1ccccc1 Show InChI InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.28E+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
University of Kuopio Curated by ChEMBL					More data for this Ligand-Target Pair