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BDBM50240921 (-)-matairesinol::(2R,3R)-2,3-Bis(4-hydroxy-3-methoxybenzyl)-4-butanolide::(3R,4R)-3,4-Bis-(4-hydroxy-3-methoxy-benzyl)-dihydro-furan-2-one::(3R,4R)-3,4-bis(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one::CHEMBL425148::MATAIRESINOL

SMILES: COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O

InChI Key: InChIKey=MATGKVZWFZHCLI-LSDHHAIUSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 2 hits for monomerid = 50240921   
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
Testis-specific androgen-binding protein


(Homo sapiens (Human))
BDBM50240921
PNG
((-)-matairesinol | (2R,3R)-2,3-Bis(4-hydroxy-3-met...)
Show SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



Universit£t Bayreuth

Curated by ChEMBL


Assay Description
Displacement of [3H]DHT from human serum SHBG


J Nat Prod 61: 119-21 (1998)


Article DOI: 10.1021/np9701743
BindingDB Entry DOI: 10.7270/Q25M66M6
More data for this
Ligand-Target Pair
Testis-specific androgen-binding protein


(Homo sapiens (Human))
BDBM50240921
PNG
((-)-matairesinol | (2R,3R)-2,3-Bis(4-hydroxy-3-met...)
Show SMILES COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O)c(OC)c2)ccc1O |r|
Show InChI InChI=1S/C20H22O6/c1-24-18-9-12(3-5-16(18)21)7-14-11-26-20(23)15(14)8-13-4-6-17(22)19(10-13)25-2/h3-6,9-10,14-15,21-22H,7-8,11H2,1-2H3/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 309n/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin


J Med Chem 51: 2047-56 (2008)


Article DOI: 10.1021/jm7011485
BindingDB Entry DOI: 10.7270/Q2RX9DC2
More data for this
Ligand-Target Pair