Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50013744   

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)	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50277665 (4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl...) Show SMILES OB1OCc2cc(Oc3ccc(cc3)C#N)ccc12 Show InChI InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Klebsiella pneumoniae KPC-2				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569215 (CHEMBL4875926) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569224 (CHEMBL4879305) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2cc3OCOc3cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569222 (CHEMBL4866950) Show SMILES COc1ccc2B(O)OC(c2c1)c1ccc(cc1)N(C)C Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569220 (CHEMBL4855048) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2ccc(Cl)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569216 (CHEMBL4875825) Show SMILES CNc1ccc(cc1)C1OB(O)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569223 (CHEMBL4858119) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2cc(Cl)ccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569204 (CHEMBL4864824) Show SMILES OB1OC(c2ccccc12)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569221 (CHEMBL4875141) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2ccc(F)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569205 (CHEMBL4878895) Show SMILES OB1OC(c2cccs2)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569218 (CHEMBL4856812) Show SMILES CN(C)c1ccc(cc1)C1OB(O)c2cccc(F)c12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569217 (CHEMBL4861373) Show SMILES OB1OC(c2ccccc12)c1ccc(cc1)N1CCCCC1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569219 (CHEMBL4849046) Show SMILES CNc1ccc(cc1)C1OB(O)c2cccc(F)c12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569207 (CHEMBL4861951) Show SMILES OB1OC(c2ccccc12)c1c[nH]c2ccc(F)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569214 (CHEMBL4851510) Show SMILES OB1OC(c2ccc(F)cc12)c1c[nH]c2ccc(Br)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569213 (CHEMBL4878058) Show SMILES OB1OC(c2c[nH]c3ccccc23)c2c1cccc2F Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569206 (CHEMBL4875860) Show SMILES OB1OC(c2c[nH]c3ccccc23)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569212 (CHEMBL4872823) Show SMILES OB1OC(c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569211 (CHEMBL4864134) Show SMILES OB1OC(c2ccccc12)c1c[nH]c2ccc(OCc3ccccc3)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569209 (CHEMBL4864629) Show SMILES OB1OC(c2ccccc12)c1c[nH]c2ccc(Br)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569210 (CHEMBL4871947) Show SMILES Cc1ccc2[nH]cc(C3OB(O)c4ccccc34)c2c1 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50569208 (CHEMBL4861004) Show SMILES OB1OC(c2ccccc12)c1c[nH]c2ccc(Cl)cc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of bacterial Beta-lactamase TEM-1 (24 - 286) (unknown origin) expressed in Escherichia coli Transetta (DE3)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.127956 BindingDB Entry DOI: 10.7270/Q2B85CX1
					More data for this Ligand-Target Pair