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SMILES: COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)c(OC)c1

InChI Key: InChIKey=GFBGOJRNTSFBLI-OYKKKHCWSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50491384   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50491384
PNG
(CHEMBL2380377)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 5.70E+3n/an/an/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Competitive inhibition of mushroom tyrosinase diphenolase activity assessed as L-DOPA conversion to dopachrome by Lineweaver-Burk plot analysis

Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair
Polyphenol oxidase 2


(Agaricus bisporus (Common mushroom))		BDBM50491384
PNG
(CHEMBL2380377)
Show SMILES COc1ccc(NC2=NC(=O)\C(S2)=C\c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)c(OC)c1 |t:7|
Show InChI InChI=1S/C27H21ClN4O3S/c1-34-21-12-13-22(23(15-21)35-2)29-27-30-26(33)24(36-27)14-18-16-32(20-6-4-3-5-7-20)31-25(18)17-8-10-19(28)11-9-17/h3-16H,1-2H3,(H,29,30,33)/b24-14-
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



Bahirji Smarak Mahavidyalaya

Curated by ChEMBL


Assay Description
Inhibition of mushroom tyrosinase using L-DOPA as substrate preincubated for 10 mins by spectrophotometric analysis

Bioorg Med Chem 21: 2772-7 (2013)


Article DOI: 10.1016/j.bmc.2012.12.053
BindingDB Entry DOI: 10.7270/Q2G44T6G
More data for this
Ligand-Target Pair