Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50002410   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alanine racemase, biosynthetic (Escherichia coli (strain K12))	BDBM50022057 ((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...) Show SMILES NC(CCl)P(O)(O)=O Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.20E+5	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 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, biosynthetic (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 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 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, biosynthetic (Escherichia coli (strain K12))	BDBM50022057 ((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...) Show SMILES NC(CCl)P(O)(O)=O Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+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, biosynthetic (Escherichia coli (strain K12))	BDBM50022057 ((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...) Show SMILES NC(CCl)P(O)(O)=O Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+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, biosynthetic (Escherichia coli (strain K12))	BDBM50022057 ((1-Amino-2-chloro-ethyl)-phosphonic acid | CHEMBL3...) Show SMILES NC(CCl)P(O)(O)=O Show InChI InChI=1S/C2H7ClNO3P/c3-1-2(4)8(5,6)7/h2H,1,4H2,(H2,5,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+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 against alanine racemase				J Med Chem 29: 148-51 (1986) BindingDB Entry DOI: 10.7270/Q20Z729S
					More data for this Ligand-Target Pair
Alanine racemase, biosynthetic (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 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 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, biosynthetic (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 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 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