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BDBM50114097 4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-dimethyl-(2R,3S)-butyl]-1,2-benzenediol::CHEMBL88952

SMILES: C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1

InChI Key: InChIKey=OKICUVFALUVGOB-KGLIPLIRSA-N

Data: 3 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 3 hits for monomerid = 50114097   
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
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet 12-lipoxygenase (12-HLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against human reticulocyte 15-lipoxygenase (15-HLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair
Lipoxygenase-1


(Glycine max (soybean))
BDBM50114097
PNG
(4-[4-(2,2-dimethylbenzo[d][1,3]dioxol-5-yl)-2,3-di...)
Show SMILES C[C@@H](Cc1ccc2OC(C)(C)Oc2c1)[C@H](C)Cc1ccc(O)c(O)c1
Show InChI InChI=1S/C21H26O4/c1-13(9-15-5-7-17(22)18(23)11-15)14(2)10-16-6-8-19-20(12-16)25-21(3,4)24-19/h5-8,11-14,22-23H,9-10H2,1-4H3/t13-,14+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory activity against soybean 1-lipoxygenase (SLO)


J Med Chem 45: 2659-61 (2002)


Article DOI: 10.1021/jm0201262
BindingDB Entry DOI: 10.7270/Q2GT5NWN
More data for this
Ligand-Target Pair