Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.5 BDBM50469658

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

Found 3 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
Beta-lactamase TEM (Escherichia coli)	BDBM50469658 (CHEMBL34634) Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.75E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli JT4(TEM1) class A beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Enterobacter cloacae)	BDBM50469658 (CHEMBL34634) Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	8.55E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Enterobacter cloacae P99 class C beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa (PAO1))	BDBM50469658 (CHEMBL34634) Show SMILES CCC(C)CCCCCCCCCCCCc1cccc(O)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-19(2)15-12-10-8-6-4-5-7-9-11-13-16-20-17-14-18-21(24)22(20)23(25)26/h14,17-19,24H,3-13,15-16H2,1-2H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	9.92E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Pseudomonas aeruginosa class C beta-lactamase				Citation and Details Article DOI: 10.1016/S0960-894X(01)80506-0 BindingDB Entry DOI: 10.7270/Q21V5HPM
					More data for this Ligand-Target Pair