BDBM50022058 (1-Amino-2,2-dichloro-ethyl)-phosphonic acid::CHEMBL288476

SMILES: NC(C(Cl)Cl)P(O)(O)=O

InChI Key: InChIKey=YMSQDZNFNMJXRB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50022058   

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
Alanine racemase (Escherichia coli (strain K12))	BDBM50022058 ((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...) Show SMILES NC(C(Cl)Cl)P(O)(O)=O Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity of the compound was determined for Alanine racemase from Pseudomonas aeruginosa				J Med Chem 29: 148-51 (1986) BindingDB Entry DOI: 10.7270/Q20Z729S
					More data for this Ligand-Target Pair
Alanine racemase (Escherichia coli (strain K12))	BDBM50022058 ((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...) Show SMILES NC(C(Cl)Cl)P(O)(O)=O Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding affinity for Alanine racemase from Pseudomonas aeruginosa				J Med Chem 29: 148-51 (1986) BindingDB Entry DOI: 10.7270/Q20Z729S
					More data for this Ligand-Target Pair
Alanine racemase (Escherichia coli (strain K12))	BDBM50022058 ((1-Amino-2,2-dichloro-ethyl)-phosphonic acid | CHE...) Show SMILES NC(C(Cl)Cl)P(O)(O)=O Show InChI InChI=1S/C2H6Cl2NO3P/c3-1(4)2(5)9(6,7)8/h1-2H,5H2,(H2,6,7,8)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Apparent binding affinity for Alanine racemase from Pseudomonas aeruginosa				J Med Chem 29: 148-51 (1986) BindingDB Entry DOI: 10.7270/Q20Z729S
					More data for this Ligand-Target Pair