Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 362.5 BDBM50469660

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

Found 7 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 (Escherichia coli)	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	1.65E+6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Escherichia coli K12(PSE4) 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 TEM (Escherichia coli)	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2.20E+6	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)	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	6.89E+6	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))	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	3.03E+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
Beta-lactamase (Proteus mirabilis)	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	6.06E+7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Concentration required for its inhibitory activity against Proteus mirabilis C889 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 OXA-1 (Escherichia coli (Enterobacteria))	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	>9.10E+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 K12(OXA1) class D 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
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50469660 (CHEMBL30915) Show SMILES CCCCCCCCCCCCCCCc1cccc(OC)c1C(O)=O Show InChI InChI=1S/C23H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19-21(26-2)22(20)23(24)25/h16,18-19H,3-15,17H2,1-2H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01542 BindingDB Entry DOI: 10.7270/Q2H99983
					More data for this Ligand-Target Pair