Compile Data Set for Download or QSAR

Found 23 hits of ki data for polymerid = 6999   

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))	BDBM50129061 ((R)-Hydroxy-phenyl-methanephosphonic acid anion | ...) Show SMILES OP(O)([O-])C(=O)c1ccccc1 Show InChI InChI=1S/C7H8O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,9-10,12H/q-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
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))	BDBM50112455 ((Hydroxy-phenyl-methyl)-phosphonic acid | Alpha Hy...) Show SMILES OP(O)(O)C(=O)c1ccccc1 Show InChI InChI=1S/C7H9O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,9-12H	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibitory activity against Mandelate racemase at pH 7.5 at 25 degree C				Bioorg Med Chem Lett 15: 4342-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.060 BindingDB Entry DOI: 10.7270/Q2DB82MQ
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50112455 ((Hydroxy-phenyl-methyl)-phosphonic acid | Alpha Hy...) Show SMILES OP(O)(O)C(=O)c1ccccc1 Show InChI InChI=1S/C7H9O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,9-12H	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					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))	BDBM50129061 ((R)-Hydroxy-phenyl-methanephosphonic acid anion | ...) Show SMILES OP(O)([O-])C(=O)c1ccccc1 Show InChI InChI=1S/C7H8O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,9-10,12H/q-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50129064 (Oxo-phenyl-methanephosphonic acid anion) Show SMILES OP([O-])(=O)C(=O)c1ccccc1 Show InChI InChI=1S/C7H7O4P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5H,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
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))	BDBM50129060 ((S)-Fluoro-phenyl-methanephosphonic acid anion) Show SMILES OP([O-])(=O)[C@H](F)c1ccccc1 Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	5.30E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM16420 ((2S)-2-hydroxy-2-phenylacetic acid | CHEMBL58910 |...) 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-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	5.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 PubMed	5.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM81768 (BENZYLIC ACID | CAS_6581-06-2 | NSC_5311391 | Quin...) Show SMILES OC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	7.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dalhousie University Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas putida mandelate racemase				Bioorg Med Chem Lett 24: 390-3 (2013) Article DOI: 10.1016/j.bmcl.2013.10.061 BindingDB Entry DOI: 10.7270/Q2PV6MVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50129059 ((R)-Fluoro-phenyl-methanephosphonic acid anion | h...) Show SMILES OP([O-])(=O)[C@@H](F)c1ccccc1 Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					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)
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50129059 ((R)-Fluoro-phenyl-methanephosphonic acid anion | h...) Show SMILES OP([O-])(=O)[C@@H](F)c1ccccc1 Show InChI InChI=1S/C7H8FO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)/p-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.11E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50273974 (3-fluoro-2-oxopropanoate) Show SMILES [O-]C(=O)C(=O)CF Show InChI InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)/p-1	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Patents	Article PubMed	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University					Assay Description MR activity was assayed using a CD-based assay by following the change in ellipticity of mandelate at 262 nm using a thermostated quartz cuvette with...				Biochemistry 54: 2747-57 (2015) Article DOI: 10.1021/acs.biochem.5b00221 BindingDB Entry DOI: 10.7270/Q2ZK5FDT
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50170970 (1,1-diphenyl-1-hydroxymethylphosphonate) Show SMILES OC(c1ccccc1)(c1ccccc1)P([O-])([O-])=O Show InChI InChI=1S/C13H13O4P/c14-13(18(15,16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H2,15,16,17)/p-2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.41E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibitory activity against Mandelate racemase at pH 7.5 at 25 degree C				Bioorg Med Chem Lett 15: 4342-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.060 BindingDB Entry DOI: 10.7270/Q2DB82MQ
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM152705 (Mesoxalate) Show SMILES [O-]C(=O)C(=O)C([O-])=O Show InChI InChI=1S/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)/p-2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University					Assay Description MR activity was assayed using a CD-based assay by following the change in ellipticity of mandelate at 262 nm using a thermostated quartz cuvette with...				Biochemistry 54: 2747-57 (2015) Article DOI: 10.1021/acs.biochem.5b00221 BindingDB Entry DOI: 10.7270/Q2ZK5FDT
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50080274 (Benzyl-phosphonic acid | CHEMBL299737 | Phenyl-met...) Show SMILES OP(O)(=O)Cc1ccccc1 Show InChI InChI=1S/C7H9O3P/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,8,9,10)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	3.60E+6	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50170970 (1,1-diphenyl-1-hydroxymethylphosphonate) Show SMILES OC(c1ccccc1)(c1ccccc1)P([O-])([O-])=O Show InChI InChI=1S/C13H13O4P/c14-13(18(15,16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H2,15,16,17)/p-2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.91E+6	n/a	n/a	n/a	n/a	n/a	n/a	6.3	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibitory activity against Mandelate racemase at pH 6.3 at 25 degree C				Bioorg Med Chem Lett 15: 4342-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.060 BindingDB Entry DOI: 10.7270/Q2DB82MQ
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50170970 (1,1-diphenyl-1-hydroxymethylphosphonate) Show SMILES OC(c1ccccc1)(c1ccccc1)P([O-])([O-])=O Show InChI InChI=1S/C13H13O4P/c14-13(18(15,16)17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H,(H2,15,16,17)/p-2	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.93E+6	n/a	n/a	n/a	n/a	n/a	n/a	8.7	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibitory activity against Mandelate racemase at pH 8.7 at 25 degree C				Bioorg Med Chem Lett 15: 4342-4 (2005) Article DOI: 10.1016/j.bmcl.2005.06.060 BindingDB Entry DOI: 10.7270/Q2DB82MQ
					More data for this Ligand-Target Pair
Mandelate racemase (Pseudomonas putida (g-Proteobacteria))	BDBM50102186 ((Difluoro-phenyl-methyl)-phosphonic acid | CHEMBL5...) Show SMILES OP(O)(=O)C(F)(F)c1ccccc1 Show InChI InChI=1S/C7H7F2O3P/c8-7(9,13(10,11)12)6-4-2-1-3-5-6/h1-5H,(H2,10,11,12)	PDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.20E+7	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Dalhousie University Curated by ChEMBL					Assay Description Inhibition constant against Mandelate racemase from Pseudomonas putida at pH 7.5				Bioorg Med Chem Lett 13: 2041-4 (2003) BindingDB Entry DOI: 10.7270/Q2XP75HB
					More data for this Ligand-Target Pair