Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360855'   

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
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM360855 (4-(2-aminobenzo[d]oxazol- 4-yl)-N1-(2-aminoethyl)-...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3oc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O5S2/c17-6-7-20-32(28,29)11-5-4-8(9-2-1-3-10-13(9)21-16(18)30-10)12(14(11)31(19,26)27)15-22-24-25-23-15/h1-5,20H,6-7,17H2,(H2,18,21)(H2,19,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360855 (4-(2-aminobenzo[d]oxazol- 4-yl)-N1-(2-aminoethyl)-...) Show SMILES NCCNS(=O)(=O)c1ccc(-c2cccc3oc(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O Show InChI InChI=1S/C16H17N9O5S2/c17-6-7-20-32(28,29)11-5-4-8(9-2-1-3-10-13(9)21-16(18)30-10)12(14(11)31(19,26)27)15-22-24-25-23-15/h1-5,20H,6-7,17H2,(H2,18,21)(H2,19,26,27)(H,22,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The Class B enzyme activities were measured in the presence of the test inhibitor in a fluorescence assay against a commercially available substrate ...				US Patent US10221163 (2019) BindingDB Entry DOI: 10.7270/Q2RX9FB1
					More data for this Ligand-Target Pair