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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Tyrosinase' and Ligand = 'BDBM50248158'   
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))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human His-tagged tyrosinase expressed in HEK 293 cells using L-DOPA as substrate by Lineweaver-Burk plot analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00994
BindingDB Entry DOI: 10.7270/Q2PV6Q29
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human His-tagged tyrosinase expressed in HEK 293 cells using L-DOPA as substrate by MBTH based assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00994
BindingDB Entry DOI: 10.7270/Q2PV6Q29
More data for this
Ligand-Target Pair
Tyrosinase


(Homo sapiens (Human))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


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))
BDBM50248158
PNG
(CHEMBL450195 | N-butylresorcinol | US8993596, 4-Bu...)
Show SMILES CCCCc1ccc(O)cc1O
Show InChI InChI=1S/C10H14O2/c1-2-3-4-8-5-6-9(11)7-10(8)12/h5-7,11-12H,2-4H2,1H3
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human tyrosinase


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