BDBM50181154 1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propylphosphonic acid::CHEMBL204106::ammonium 1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propylphosphonate

SMILES: ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O

InChI Key: InChIKey=AJGPMMOCRYQLNY-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 Kd

PDB links: 2 PDB IDs match this monomer.

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 4 hits for monomerid = 50181154   

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
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50181154 (1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant DXR expressed in Escherichia coli BL21 (DE3) using DXP as substrate and MgCl2 as cofactor preinc...				J Med Chem 54: 4721-34 (2011) Article DOI: 10.1021/jm200363d BindingDB Entry DOI: 10.7270/Q2NK3FCT
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50181154 (1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Baylor College of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXR				ACS Med Chem Lett 2: 165-170 (2011) Article DOI: 10.1021/ml100243r BindingDB Entry DOI: 10.7270/Q2XD12NV
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50181154 (1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50181154 (1-(3,4-dichlorophenyl)-3-(N-hydroxyformamido)propy...) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C=O Show InChI InChI=1S/C10H12Cl2NO5P/c11-8-2-1-7(5-9(8)12)10(19(16,17)18)3-4-13(15)6-14/h1-2,5-6,10,15H,3-4H2,(H2,16,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Ghent University Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli DXR				Bioorg Med Chem Lett 16: 1888-91 (2006) Article DOI: 10.1016/j.bmcl.2005.12.082 BindingDB Entry DOI: 10.7270/Q2FJ2GB6
					More data for this Ligand-Target Pair