BDBM50281360 CHEMBL286326::[2-{3-[(3,4-Dichloro-benzoylamino)-methyl]-phenyl}-1-(4-hydroxy-phenoxy)-1-phosphono-ethyl]-phosphonic acid

SMILES: Oc1ccc(OC(Cc2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)(P(O)(O)=O)P(O)(O)=O)cc1

InChI Key: InChIKey=BSINHOGPWWRUMD-UHFFFAOYSA-N

Data: 1 IC50

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 = 50281360   

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
Inositol-1(or 4)-monophosphatase 1 (Bos taurus)	BDBM50281360 (CHEMBL286326 | [2-{3-[(3,4-Dichloro-benzoylamino)-...) Show SMILES Oc1ccc(OC(Cc2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)(P(O)(O)=O)P(O)(O)=O)cc1 Show InChI InChI=1S/C22H21Cl2NO9P2/c23-19-9-4-16(11-20(19)24)21(27)25-13-15-3-1-2-14(10-15)12-22(35(28,29)30,36(31,32)33)34-18-7-5-17(26)6-8-18/h1-11,26H,12-13H2,(H,25,27)(H2,28,29,30)(H2,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase				Bioorg Med Chem Lett 3: 141-146 (1993) Article DOI: 10.1016/S0960-894X(01)80864-7 BindingDB Entry DOI: 10.7270/Q2JD4WRV
					More data for this Ligand-Target Pair