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SMILES: COc1c(OCC=C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12

InChI Key: InChIKey=RNTKIDCSTYPBAH-UHFFFAOYSA-N

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 = 50124607   
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
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124607
PNG
(5-Allyl-9-allyloxy-10-methoxy-2,2,4-trimethyl-2,5-...)
Show SMILES COc1c(OCC=C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H29NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h7-8,10-13,15,19,27H,1-2,9,14H2,3-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of dihydrofolate reductase DHFR in Pneumocystis carinii.


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50124607
PNG
(5-Allyl-9-allyloxy-10-methoxy-2,2,4-trimethyl-2,5-...)
Show SMILES COc1c(OCC=C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H29NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h7-8,10-13,15,19,27H,1-2,9,14H2,3-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
3.74E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-progesterone from human Progesterone receptor A


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50124607
PNG
(5-Allyl-9-allyloxy-10-methoxy-2,2,4-trimethyl-2,5-...)
Show SMILES COc1c(OCC=C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
Show InChI InChI=1S/C26H29NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h7-8,10-13,15,19,27H,1-2,9,14H2,3-6H3
PDB

KEGG

UniProtKB/SwissProt

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

Similars

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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Transcriptional repression in HepG2 cells expressing human glucocorticoid receptor


J Med Chem 46: 1016-30 (2003)


Article DOI: 10.1021/jm020335m
BindingDB Entry DOI: 10.7270/Q2MP52NB
More data for this
Ligand-Target Pair