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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosinase' and Ligand = 'BDBM50251013'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosinase


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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MCE
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
UniProtKB/SwissProt

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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair
Tyrosinase


(Mus musculus (Mouse))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase in mouse B16 cells assessed as reduction in melanin synthesis after 1 hr


J Med Chem 61: 7395-7418 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00967
BindingDB Entry DOI: 10.7270/Q2CN77C2
More data for this
Ligand-Target Pair