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BDBM50049513 5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-cyclohexylmethyl)-phenol::CHEMBL299778

SMILES: COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br

InChI Key: InChIKey=HXJXFIBSBUSEJX-AAEUAGOBSA-N

Data: 3 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 5 hits for monomerid = 50049513   
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
Progesterone receptor


(Homo sapiens (Human))
BDBM50049513
PNG
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)
Show SMILES COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
71n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity determined for human Progesterone receptor A isoform


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50049513
PNG
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)
Show SMILES COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.64E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity determined against human Androgen receptor


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50049513
PNG
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)
Show SMILES COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity was determined for human glucocorticoid receptor(hGR).


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049513
PNG
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)
Show SMILES COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Antagonistic potency to the human progesterone receptor measured in the T-47D alkaline phosphatase assay


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50049513
PNG
(5-Bromo-4-methoxy-2-((1R,2S)-2-methyl-6-methylene-...)
Show SMILES COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
Show InChI InChI=1S/C16H21BrO2/c1-10-5-4-6-11(2)13(10)7-12-8-16(19-3)14(17)9-15(12)18/h8-9,11,13,18H,1,4-7H2,2-3H3/t11-,13-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Concentration required to give half-maximal inhibition against human Progesterone receptor B isoform in co-transfected CV-1 cell lines.


J Med Chem 39: 1778-89 (1996)


Article DOI: 10.1021/jm950747d
BindingDB Entry DOI: 10.7270/Q2416XQ2
More data for this
Ligand-Target Pair