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BDBM50253434 4-(3-Methyl-butyl)-2,6-bis-(2-methyl-propane-1-sulfonyl)-pyrimidine::CHEMBL521813

SMILES: CC(C)CCc1cc(nc(n1)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C

InChI Key: InChIKey=FGTHNXNMSNVRHP-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50253434   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM50253434
PNG
(4-(3-Methyl-butyl)-2,6-bis-(2-methyl-propane-1-sul...)
Show SMILES CC(C)CCc1cc(nc(n1)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C17H30N2O4S2/c1-12(2)7-8-15-9-16(24(20,21)10-13(3)4)19-17(18-15)25(22,23)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 ...


J Med Chem 51: 6512-30 (2008)


Article DOI: 10.1021/jm800698b
BindingDB Entry DOI: 10.7270/Q2KD1XRF
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50253434
PNG
(4-(3-Methyl-butyl)-2,6-bis-(2-methyl-propane-1-sul...)
Show SMILES CC(C)CCc1cc(nc(n1)S(=O)(=O)CC(C)C)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C17H30N2O4S2/c1-12(2)7-8-15-9-16(24(20,21)10-13(3)4)19-17(18-15)25(22,23)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+6n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta (unknown origin) assessed as inhibition of fluorescein-labeled nuclear receptor domain of steroid receptor coactivator 3 b...


J Med Chem 51: 6512-30 (2008)


Article DOI: 10.1021/jm800698b
BindingDB Entry DOI: 10.7270/Q2KD1XRF
More data for this
Ligand-Target Pair