Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metallo-beta-lactamase type 2' and Ligand = 'BDBM360916'   

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)	BDBM360916 ((S)-tert-butyl 3-(2-(N,N-bis(4- methoxybenzyl)sulf...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H]2CCN(C2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C40H46IN7O9S2/c1-40(2,3)57-39(49)46-22-21-30(26-46)44-58(50,51)35-20-19-34(41)36(38-42-45-48(43-38)25-29-11-17-33(56-6)18-12-29)37(35)59(52,53)47(23-27-7-13-31(54-4)14-8-27)24-28-9-15-32(55-5)16-10-28/h7-20,30,44H,21-26H2,1-6H3/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0200	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)	BDBM360916 ((S)-tert-butyl 3-(2-(N,N-bis(4- methoxybenzyl)sulf...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)N[C@H]2CCN(C2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C40H46IN7O9S2/c1-40(2,3)57-39(49)46-22-21-30(26-46)44-58(50,51)35-20-19-34(41)36(38-42-45-48(43-38)25-29-11-17-33(56-6)18-12-29)37(35)59(52,53)47(23-27-7-13-31(54-4)14-8-27)24-28-9-15-32(55-5)16-10-28/h7-20,30,44H,21-26H2,1-6H3/t30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	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