BDBM367891 (S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)sulfamoyl)-4- iodo-3-(2-(4-methoxybenzyl)- 2H-tetrazol-5- yl)phenyl)sulfonyl)-3- hydroxypropan-2-yl)carbamate::US10227331, Example 78

SMILES: COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1

InChI Key: InChIKey=YCTFLGSNMMJIGK-LJAQVGFWSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 367891   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM367891 ((S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)su...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C39H45IN6O10S2/c1-39(2,3)56-38(48)41-29(24-47)25-57(49,50)34-20-19-33(40)35(37-42-44-46(43-37)23-28-11-17-32(55-6)18-12-28)36(34)58(51,52)45(21-26-7-13-30(53-4)14-8-26)22-27-9-15-31(54-5)16-10-27/h7-20,29,47H,21-25H2,1-6H3,(H,41,48)/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.441	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair
VIM-1 (Pseudomonas aeruginosa)	BDBM367891 ((S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)su...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C39H45IN6O10S2/c1-39(2,3)56-38(48)41-29(24-47)25-57(49,50)34-20-19-33(40)35(37-42-44-46(43-37)23-28-11-17-32(55-6)18-12-28)36(34)58(51,52)45(21-26-7-13-30(53-4)14-8-26)22-27-9-15-31(54-5)16-10-27/h7-20,29,47H,21-25H2,1-6H3,(H,41,48)/t29-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.136	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM367891 ((S)-tert-butyl (1-((2-(N,N-bis(4- methoxybenzyl)su...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)C[C@H](CO)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C39H45IN6O10S2/c1-39(2,3)56-38(48)41-29(24-47)25-57(49,50)34-20-19-33(40)35(37-42-44-46(43-37)23-28-11-17-32(55-6)18-12-28)36(34)58(51,52)45(21-26-7-13-30(53-4)14-8-26)22-27-9-15-31(54-5)16-10-27/h7-20,29,47H,21-25H2,1-6H3,(H,41,48)/t29-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair