BDBM50330793 2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one::CHEMBL1275969

SMILES: CC(C)c1ccccc(=O)c1O

InChI Key: InChIKey=TUFYVOCKVJOUIR-UHFFFAOYSA-N

Data: 1 KI  5 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 = 50330793   

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))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase after 15 mins by Lineweaver-Bulk plot analysis				Bioorg Med Chem 18: 8112-8 (2010) Article DOI: 10.1016/j.bmc.2010.08.056 BindingDB Entry DOI: 10.7270/Q2JH3MF5
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.53E+3	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
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase				J Med Chem 61: 7395-7418 (2018) Article DOI: 10.1021/acs.jmedchem.7b00967
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase				J Med Chem 61: 7395-7418 (2018) Article DOI: 10.1021/acs.jmedchem.7b00967
					More data for this Ligand-Target Pair
Tyrosinase (Homo sapiens (Human))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Competitive inhibition of tyrosinase in human G-361 cells incubated for 10 mins measured for 2 hrs by MBTH-based spectrophotometry				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
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50330793 (2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one ...) Show SMILES CC(C)c1ccccc(=O)c1O Show InChI InChI=1S/C10H12O2/c1-7(2)8-5-3-4-6-9(11)10(8)12/h3-7H,1-2H3,(H,11,12)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.53E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Theoretical Medicine, Inc. Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase after 15 mins				Bioorg Med Chem 18: 8112-8 (2010) Article DOI: 10.1016/j.bmc.2010.08.056 BindingDB Entry DOI: 10.7270/Q2JH3MF5
					More data for this Ligand-Target Pair