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BDBM50524084 CHEMBL4460139

SMILES: [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)C(\CO)=C\C

InChI Key: InChIKey=RSQIRHPSQJDQQU-ZDSZYRGBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50524084   
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
Tyrosinase


(Homo sapiens (Human))		BDBM50524084
PNG
(CHEMBL4460139)
Show SMILES [H][C@]12OC(=O)[C@@H](CN3CCC[C@H]3C(O)=O)[C@]1([H])[C@H](C[C@@](C)(C=C)[C@@H]2C(=C)CO)OC(=O)C(\CO)=C\C |r|
Show InChI InChI=1S/C25H35NO8/c1-5-15(13-28)23(31)33-18-10-25(4,6-2)20(14(3)12-27)21-19(18)16(24(32)34-21)11-26-9-7-8-17(26)22(29)30/h5-6,16-21,27-28H,2-3,7-13H2,1,4H3,(H,29,30)/b15-5+/t16-,17-,18-,19+,20+,21-,25+/m0/s1
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Hiroshima University

Curated by ChEMBL


Assay Description
Inhibition of tyrosinase (unknown origin)

J Nat Prod 82: 1471-1477 (2019)


Article DOI: 10.1021/acs.jnatprod.8b00948
More data for this
Ligand-Target Pair