BindingDB logo
myBDB logout

BDBM50194601 1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene::1,2,4-trichloro-5-(3-iodoprop-2-ynyloxy)benzene::CHEMBL1289::HALOPROGIN::Halotex::M-1028

SMILES: Clc1cc(Cl)c(OCC#CI)cc1Cl

InChI Key: InChIKey=CTETYYAZBPJBHE-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50194601   
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
UDP-glucose 4-epimerase


(Homo sapiens)
BDBM50194601
PNG
(1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene ...)
Show SMILES Clc1cc(Cl)c(OCC#CI)cc1Cl
Show InChI InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



University of Dundee

Curated by ChEMBL


Assay Description
Inhibition of human GalE by HPAEC assay


Bioorg Med Chem Lett 16: 5744-7 (2006)

More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50194601
PNG
(1,2,4-Trichloro-5-(3-iodo-prop-2-ynyloxy)-benzene ...)
Show SMILES Clc1cc(Cl)c(OCC#CI)cc1Cl
Show InChI InChI=1S/C9H4Cl3IO/c10-6-4-8(12)9(5-7(6)11)14-3-1-2-13/h4-5H,3H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.00E+4n/an/an/an/a



National Institutes of Health Chemical Genomics Center

Curated by ChEMBL


Assay Description
Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay


Drug Metab Dispos 39: 151-9 (2010)

More data for this
Ligand-Target Pair