Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'labia' and Initial = 'r'   

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
Beta-lactamase TEM (Escherichia coli)	BDBM50021959 (CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...) Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50021954 ((2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-...) Show SMILES CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022785 (4-Methyl-3-(2-oxo-azetidin-1-yl)-benzoic acid | CH...) Show SMILES Cc1ccc(cc1N1CCC1=O)C(O)=O Show InChI InChI=1S/C11H11NO3/c1-7-2-3-8(11(14)15)6-9(7)12-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,14,15)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022788 ((2S,5R,6R)-6-(3-(2-chlorophenyl)-5-methylisoxazole...) Show SMILES Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl |r| Show InChI InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022787 ((+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-...) Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O |r| Show InChI InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022786 (3-(3-Fluoro-2-oxo-azetidin-1-yl)-4-methyl-benzoic ...) Show SMILES Cc1ccc(cc1N1CC(F)C1=O)C(O)=O Show InChI InChI=1S/C11H10FNO3/c1-6-2-3-7(11(15)16)4-9(6)13-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022790 (1-Oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoline...) Show SMILES OC(=O)c1ccc2CCC3CC(=O)N3c2c1 Show InChI InChI=1S/C12H11NO3/c14-11-6-9-4-3-7-1-2-8(12(15)16)5-10(7)13(9)11/h1-2,5,9H,3-4,6H2,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022789 (4-Fluoro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]...) Show SMILES OC(=O)c1ccc2C(F)CC3CC(=O)N3c2c1 Show InChI InChI=1S/C12H10FNO3/c13-9-4-7-5-11(15)14(7)10-3-6(12(16)17)1-2-8(9)10/h1-3,7,9H,4-5H2,(H,16,17)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022794 (3-(3-Bromo-2-oxo-azetidin-1-yl)-4-methyl-benzoic a...) Show SMILES Cc1ccc(cc1N1CC(Br)C1=O)C(O)=O Show InChI InChI=1S/C11H10BrNO3/c1-6-2-3-7(11(15)16)4-9(6)13-5-8(12)10(13)14/h2-4,8H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022792 (4-Chloro-1-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]...) Show SMILES OC(=O)c1ccc2C(Cl)CC3CC(=O)N3c2c1 Show InChI InChI=1S/C12H10ClNO3/c13-9-4-7-5-11(15)14(7)10-3-6(12(16)17)1-2-8(9)10/h1-3,7,9H,4-5H2,(H,16,17)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022795 (3-(3-Bromo-3-fluoro-2-oxo-azetidin-1-yl)-4-methyl-...) Show SMILES Cc1ccc(cc1N1CC(F)(Br)C1=O)C(O)=O Show InChI InChI=1S/C11H9BrFNO3/c1-6-2-3-7(9(15)16)4-8(6)14-5-11(12,13)10(14)17/h2-4H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022793 (3-(3,3-Difluoro-2-oxo-azetidin-1-yl)-4-methyl-benz...) Show SMILES Cc1ccc(cc1N1CC(F)(F)C1=O)C(O)=O Show InChI InChI=1S/C11H9F2NO3/c1-6-2-3-7(9(15)16)4-8(6)14-5-11(12,13)10(14)17/h2-4H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50022791 (3-(3,3-Dibromo-2-oxo-azetidin-1-yl)-4-methyl-benzo...) Show SMILES Cc1ccc(cc1N1CC(Br)(Br)C1=O)C(O)=O Show InChI InChI=1S/C11H9Br2NO3/c1-6-2-3-7(9(15)16)4-8(6)14-5-11(12,13)10(14)17/h2-4H,5H2,1H3,(H,15,16)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-CERCOA Curated by ChEMBL					Assay Description Inhibition constant (Ki) for TEM-1 beta-lactamase				J Med Chem 31: 370-4 (1988) BindingDB Entry DOI: 10.7270/Q21R6PHS
					More data for this Ligand-Target Pair