Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 184.4 BDBM50282562Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 hits in this display   

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
Subtilisin Carlsberg (Bacillus licheniformis)	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 MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin Carlsberg enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					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
Subtilisin BL (Bacillus lentus)	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL wild type enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair
Subtilisin BL (Bacillus lentus)	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	2.33E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222C-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair
Subtilisin BL (Bacillus lentus)	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 MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article	3.25E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibition of Subtilisin BL M222S-mutated enzyme from B. lentus				Bioorg Med Chem Lett 6: 2501-2506 (1996) Article DOI: 10.1016/0960-894X(96)00466-0 BindingDB Entry DOI: 10.7270/Q2X34XFJ
					More data for this Ligand-Target Pair