Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50037923   

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
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50197008 (CHEMBL388471 | N-hydroxy-N-nitrosobenzenamine | cu...) Show SMILES ON(N=O)c1ccccc1 Show InChI InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,10H	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of mandelate racemase in Pseudomonas putida				Bioorg Med Chem Lett 17: 105-8 (2006) Article DOI: 10.1016/j.bmcl.2006.09.079 BindingDB Entry DOI: 10.7270/Q29W0G96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50197006 (CHEMBL232642 | N-hydroxyformanilide) Show SMILES ON(C=O)c1ccccc1 Show InChI InChI=1S/C7H7NO2/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.79E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of mandelate racemase in Pseudomonas putida				Bioorg Med Chem Lett 17: 105-8 (2006) Article DOI: 10.1016/j.bmcl.2006.09.079 BindingDB Entry DOI: 10.7270/Q29W0G96
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50015184 (BENZHYDROXAMIC ACID | BENZOHYDROXAMATE | CHEMBL163...) Show SMILES ONC(=O)c1ccccc1 Show InChI InChI=1S/C7H7NO2/c9-7(8-10)6-4-2-1-3-5-6/h1-5,10H,(H,8,9)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of mandelate racemase in Pseudomonas putida				Bioorg Med Chem Lett 17: 105-8 (2006) Article DOI: 10.1016/j.bmcl.2006.09.079 BindingDB Entry DOI: 10.7270/Q29W0G96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50197007 (1-hydroxyoxindole | CHEMBL232021) Show SMILES Oc1cc2ccccc2n1O Show InChI InChI=1S/C8H7NO2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-5,10-11H	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of mandelate racemase in Pseudomonas putida				Bioorg Med Chem Lett 17: 105-8 (2006) Article DOI: 10.1016/j.bmcl.2006.09.079 BindingDB Entry DOI: 10.7270/Q29W0G96
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM16421 ((2R)-2-hydroxy-2-phenylacetic acid | CHEMBL292411 ...) Show SMILES O[C@@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	8.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition of mandelate racemase in Pseudomonas putida				Bioorg Med Chem Lett 17: 105-8 (2006) Article DOI: 10.1016/j.bmcl.2006.09.079 BindingDB Entry DOI: 10.7270/Q29W0G96
					More data for this Ligand-Target Pair				3D Structure (crystal)