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BDBM50253466 CHEMBL507395::Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine

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

InChI Key: InChIKey=QRLVLVQSHWPUKP-UHFFFAOYSA-N

Data: 2 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50253466   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50253466
PNG
(CHEMBL507395 | Isobutyl-[6-(3-methyl-butyl)-2-(2-m...)
Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C17H31N3O2S/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)23(21,22)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)
PDB

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antibodypedia
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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))
BDBM50253466
PNG
(CHEMBL507395 | Isobutyl-[6-(3-methyl-butyl)-2-(2-m...)
Show SMILES CC(C)CCc1cc(NCC(C)C)nc(n1)S(=O)(=O)CC(C)C
Show InChI InChI=1S/C17H31N3O2S/c1-12(2)7-8-15-9-16(18-10-13(3)4)20-17(19-15)23(21,22)11-14(5)6/h9,12-14H,7-8,10-11H2,1-6H3,(H,18,19,20)
PDB

Reactome pathway

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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