Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50029235   

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)	BDBM26126 ((3-phenylphenyl)boranediol | Phenylboronic Acid, 5) Show SMILES OB(O)c1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50067892 (4-Bromophenyl-boronic acid | 4-bromo phenyl boroni...) Show SMILES OB(O)c1ccc(Br)cc1 Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM26142 ((2-phenylethyl)boranediol | Alkylboronic Acid, 21) Show SMILES OB(O)CCc1ccccc1 Show InChI InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article	2.98E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282562 (2-(4Chlorophenyl)ethyl boronic acid | Boronic acid...) Show SMILES OB(O)CCc1ccc(Cl)cc1 Show InChI InChI=1S/C8H10BClO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-4,11-12H,5-6H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282569 (2-(4-Trifluoromethylphenyl)ethyl boronic acid | CH...) Show SMILES OB(O)CCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C9H10BF3O2/c11-9(12,13)8-3-1-7(2-4-8)5-6-10(14)15/h1-4,14-15H,5-6H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282563 (2-(2-Naphthyl)ethyl boronic acid | Boronic acid de...) Show SMILES OB(O)CCc1ccc2ccccc2c1 Show InChI InChI=1S/C12H13BO2/c14-13(15)8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9,14-15H,7-8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282561 (2-(4-Carboxyphenyl)ethyI boronic acid | CHEMBL2112...) Show SMILES OB(O)CCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H11BO4/c11-9(12)8-3-1-7(2-4-8)5-6-10(13)14/h1-4,13-14H,5-6H2,(H,11,12)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	4.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282575 (2-(3-Methoxyphenyl)ethyl boronic acid | CHEMBL2817...) Show SMILES COc1cccc(CCB(O)O)c1 Show InChI InChI=1S/C9H13BO3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-4,7,11-12H,5-6H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282570 (2-(4-Methylphenyl)ethyl boronic acid | CHEMBL20678) Show SMILES Cc1ccc(CCB(O)O)cc1 Show InChI InChI=1S/C9H13BO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282571 (3-Bromophenyl boronic acid | CHEMBL278140) Show SMILES OB(O)c1cccc(Br)c1 Show InChI InChI=1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282566 (2-(3-Methylphenyl)ethyl boronic acid | CHEMBL28160...) Show SMILES Cc1cccc(CCB(O)O)c1 Show InChI InChI=1S/C9H13BO2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7,11-12H,5-6H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	8.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282564 (2,4-Dichlorophenyl boronic acid | 2,4-dichloro ben...) Show SMILES OB(O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C6H5BCl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282574 (2-(1-Naphthyl)ethyl boronic acid | CHEMBL20434) Show SMILES OB(O)CCc1cccc2ccccc12 Show InChI InChI=1S/C12H13BO2/c14-13(15)9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,14-15H,8-9H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282565 (2-(2-Chlorophenyl)ethyl boronic acid | CHEMBL27997...) Show SMILES OB(O)CCc1ccccc1Cl Show InChI InChI=1S/C8H10BClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,11-12H,5-6H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50067887 (3-NITROPHENYLBORONIC ACID | 3-Nitro-phenyl-1-dihyd...) Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	Article	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282572 (2-(2-Methylphenyl)ethyl boronic acid | CHEMBL21503) Show SMILES Cc1ccccc1CCB(O)O Show InChI InChI=1S/C9H13BO2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5,11-12H,6-7H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.41E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282567 (3,4-Dichlorophenyl boronic acid | 3,4-dichloro ben...) Show SMILES OB(O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C6H5BCl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282573 (3-Chloro-4-fluorophenyl boronic acid | CHEMBL27902...) Show SMILES OB(O)c1ccc(F)c(Cl)c1 Show InChI InChI=1S/C6H5BClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,10-11H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article	1.52E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50282568 (2-Cyclohexylethyl boronic acid | CHEMBL277463) Show SMILES OB(O)CCC1CCCCC1 Show InChI InChI=1S/C8H17BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h8,10-11H,1-7H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article	2.76E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM26996 (CHEMBL21485 | PhB(OH)2 | Phenyl-boronic acid | Phe...) Show SMILES OB(O)c1ccccc1 Show InChI InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	4.91E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM26133 ((4-methoxyphenyl)boranediol | CHEMBL21427 | Phenyl...) Show SMILES COc1ccc(cc1)B(O)O Show InChI InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50067906 ((3-aminophenyl)boronic acid, 1 | 3-aminophenyl bor...) Show SMILES Nc1cccc(c1)B(O)O Show InChI InChI=1S/C6H8BNO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	Article	3.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli				Bioorg Med Chem Lett 4: 1229-1234 (1994) Article DOI: 10.1016/S0960-894X(01)80336-X BindingDB Entry DOI: 10.7270/Q2W9595N
					More data for this Ligand-Target Pair