BDBM50029029 (tetraidofluorescein)2-(6-Hydroxy-2,4,5,7-tetraiodo-5-methyl-3-oxo-3H-xanthen-9-yl)-benzoic acid

SMILES: [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12

InChI Key: InChIKey=LAINPTZBIXYTIZ-UHFFFAOYSA-L

Data: 1 KI

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 1 hit for monomerid = 50029029   

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
Choline acetylase (Homo sapiens (Human))	BDBM50029029 ((tetraidofluorescein)2-(6-Hydroxy-2,4,5,7-tetraiod...) Show SMILES [O-]C(=O)c1ccccc1-c1c2cc(I)c([O-])c(I)c2oc2c(I)c(=O)c(I)cc12 |(6.44,.46,;5.34,-.59,;6.44,-1.53,;4.12,-.31,;4.1,1.23,;2.77,2,;1.43,1.21,;1.46,-.34,;2.79,-1.08,;2.79,-2.63,;4.12,-3.37,;5.46,-2.6,;6.81,-3.35,;8.14,-2.58,;6.81,-4.92,;8.17,-5.69,;5.48,-5.69,;5.5,-7.23,;4.15,-4.94,;2.81,-5.71,;1.46,-4.94,;.12,-5.71,;.12,-7.26,;-1.21,-4.94,;-2.54,-5.71,;-1.21,-3.4,;-2.54,-2.63,;.12,-2.63,;1.46,-3.4,)| Show InChI InChI=1S/C20H8I4O5/c21-11-5-9-13(7-3-1-2-4-8(7)20(27)28)10-6-12(22)17(26)15(24)19(10)29-18(9)14(23)16(11)25/h1-6,25H,(H,27,28)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia				J Med Chem 24: 1534-7 (1982) BindingDB Entry DOI: 10.7270/Q2T43TMK
					More data for this Ligand-Target Pair