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)	Ligand	Target/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	pH	Temp °C
UDP-glucose 4-epimerase (Homo sapiens (Human))	BDBM50194601 (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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of human GalE by HPAEC assay				Bioorg Med Chem Lett 16: 5744-7 (2006) Article DOI: 10.1016/j.bmcl.2006.08.091 BindingDB Entry DOI: 10.7270/Q2RJ4K83
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50194601 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/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) Article DOI: 10.1124/dmd.110.035105 BindingDB Entry DOI: 10.7270/Q2JS9S5P
					More data for this Ligand-Target Pair