BDBM50192743 3,4-Dihydroxybenzaldehyde::CHEBI:50205::PROTOCATECHUALDEHYDE::Protocatechualdehyde

SMILES: Oc1ccc(C=O)cc1O

InChI Key: InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N

Data: 2 IC50  1 Kd

PDB links: 1 PDB ID matches 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 3 hits for monomerid = 50192743   

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
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Non-competitive inhibition of mushroom tyrosinase				Bioorg Med Chem 22: 6193-200 (2014) Article DOI: 10.1016/j.bmc.2014.08.027 BindingDB Entry DOI: 10.7270/Q2DV1MG2
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.39E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of MERS-CoV papain-like protease using Z-Arg-Leu-Arg-Gly-Gly-AMC as substrate preincubated for 5 mins followed by substrate addition and m...				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (Middle East respiratory syndrome-related coronavir...)	BDBM50192743 (3,4-Dihydroxybenzaldehyde | CHEBI:50205 | PROTOCAT...) Show SMILES Oc1ccc(C=O)cc1O Show InChI InChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.20E+5	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Binding affinity to MERS-CoV papain-like protease by SPR analysis				Bioorg Med Chem 27: 1981-1989 (2019) Article DOI: 10.1016/j.bmc.2019.03.050
					More data for this Ligand-Target Pair