BDBM50495307 CHEMBL3103545

SMILES: COc1ccc(CCC(=O)c2ccc3OC(C)(C)C(O)Cc3c2O)cc1

InChI Key: InChIKey=SXUATLUQEIRYSG-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50495307   

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))	BDBM50495307 (CHEMBL3103545) Show SMILES COc1ccc(CCC(=O)c2ccc3OC(C)(C)C(O)Cc3c2O)cc1 Show InChI InChI=1S/C21H24O5/c1-21(2)19(23)12-16-18(26-21)11-9-15(20(16)24)17(22)10-6-13-4-7-14(25-3)8-5-13/h4-5,7-9,11,19,23-24H,6,10,12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins with substrate followed by enzyme addition measu...				Bioorg Med Chem 22: 1115-20 (2014) Article DOI: 10.1016/j.bmc.2013.12.047 BindingDB Entry DOI: 10.7270/Q2222XQ8
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50495307 (CHEMBL3103545) Show SMILES COc1ccc(CCC(=O)c2ccc3OC(C)(C)C(O)Cc3c2O)cc1 Show InChI InChI=1S/C21H24O5/c1-21(2)19(23)12-16-18(26-21)11-9-15(20(16)24)17(22)10-6-13-4-7-14(25-3)8-5-13/h4-5,7-9,11,19,23-24H,6,10,12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Competitive inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins with substrate followed by enzyme addition measured ...				Bioorg Med Chem 22: 1115-20 (2014) Article DOI: 10.1016/j.bmc.2013.12.047 BindingDB Entry DOI: 10.7270/Q2222XQ8
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50495307 (CHEMBL3103545) Show SMILES COc1ccc(CCC(=O)c2ccc3OC(C)(C)C(O)Cc3c2O)cc1 Show InChI InChI=1S/C21H24O5/c1-21(2)19(23)12-16-18(26-21)11-9-15(20(16)24)17(22)10-6-13-4-7-14(25-3)8-5-13/h4-5,7-9,11,19,23-24H,6,10,12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase using L-tyrosine as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15...				Bioorg Med Chem 22: 1115-20 (2014) Article DOI: 10.1016/j.bmc.2013.12.047 BindingDB Entry DOI: 10.7270/Q2222XQ8
					More data for this Ligand-Target Pair
Tyrosinase (Agaricus bisporus (Common mushroom))	BDBM50495307 (CHEMBL3103545) Show SMILES COc1ccc(CCC(=O)c2ccc3OC(C)(C)C(O)Cc3c2O)cc1 Show InChI InChI=1S/C21H24O5/c1-21(2)19(23)12-16-18(26-21)11-9-15(20(16)24)17(22)10-6-13-4-7-14(25-3)8-5-13/h4-5,7-9,11,19,23-24H,6,10,12H2,1-3H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Gyeongsang National University Curated by ChEMBL					Assay Description Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins with substrate followed by enzyme addition measured after 15 min...				Bioorg Med Chem 22: 1115-20 (2014) Article DOI: 10.1016/j.bmc.2013.12.047 BindingDB Entry DOI: 10.7270/Q2222XQ8
					More data for this Ligand-Target Pair