BDBM19441 2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol::CHEMBL81::Evista::Keoxifene::RALOXIFENE HYDROCHLORIDE::Raloxifene::Raloxifene (7)::Raloxifene, 6::[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone::cid_11071264

SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=GZUITABIAKMVPG-UHFFFAOYSA-N

Data  27 KI  97 IC50  2 Kd  11 EC50

PDB links: 10 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 19441   

TargetCruzipain(Trypanosoma cruzi)
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataIC50: >6.00E+4nMAssay Description:Inhibition of Tryapanosom cruzi cruzain by quantitative high throughput screeningMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataIC50:  1.28E+5nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in presence of 0.01% Triton X-100More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCruzipain(Trypanosoma cruzi)
National Human Genome Research Institute

Curated by ChEMBL
LigandPNGBDBM19441(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Affinity DataIC50:  3.30E+4nMAssay Description:Inhibition of Trypanosoma cruzi cruzaine preincubated for 5 mins before substrate addition by fluorescence assay in absence of Triton X-100More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed