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BDBM50324036 2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-hydroxymethyl-1-methyl-pyrrolidin-3-yl)-3,5-dimethoxy-phenol::CHEMBL1214309

SMILES: COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1

InChI Key: InChIKey=LIIRKJMRPQGWKE-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 = 50324036   
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


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
840n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
960n/an/an/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.84E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase assessed as oxidation of L-DOPA


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair
Tyrosinase


(Agaricus bisporus (Common mushroom))
BDBM50324036
PNG
(2-[5-(2,4-Dimethoxy-phenyl)-1H-pyrazol-3-yl]-6-(2-...)
Show SMILES COc1ccc(-c2cc([nH]n2)-c2c(OC)cc(OC)c(C3CCN(C)C3CO)c2O)c(OC)c1
Show InChI InChI=1S/C25H31N3O6/c1-28-9-8-16(19(28)13-29)23-21(33-4)12-22(34-5)24(25(23)30)18-11-17(26-27-18)15-7-6-14(31-2)10-20(15)32-3/h6-7,10-12,16,19,29-30H,8-9,13H2,1-5H3,(H,26,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Solapur University

Curated by ChEMBL


Assay Description
Inhibition of mashroom tyrosinase


Bioorg Med Chem 18: 6149-55 (2010)


Article DOI: 10.1016/j.bmc.2010.06.046
BindingDB Entry DOI: 10.7270/Q2GQ6XXR
More data for this
Ligand-Target Pair