BDBM360925 (R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)sulfamoyl)- 4-iodo-3-(2-(4-methoxybenzyl)- 2H-tetrazol-5- yl)phenylsulfonamido)propane- 1,2-diyl)dicarbamate::US10221163, Example 81::US10544130, Example 81

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

InChI Key: InChIKey=MPKFPGZSQMILTQ-JGCGQSQUSA-N

Data: 6 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 6 hits for monomerid = 360925   

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)	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	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
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0290	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
Beta-lactamase ()	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.135	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Serratia marcescens)	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	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 US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Beta-lactamase VIM-1 (Klebsiella pneumoniae)	BDBM360925 ((R)-di-tert-butyl (3-(2-(N,N- bis(4-methoxybenzyl)...) Show SMILES COc1ccc(CN(Cc2ccc(OC)cc2)S(=O)(=O)c2c(ccc(I)c2-c2nnn(Cc3ccc(OC)cc3)n2)S(=O)(=O)NC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C44H55IN8O11S2/c1-43(2,3)63-41(54)46-24-32(48-42(55)64-44(4,5)6)25-47-65(56,57)37-23-22-36(45)38(40-49-51-53(50-40)28-31-14-20-35(62-9)21-15-31)39(37)66(58,59)52(26-29-10-16-33(60-7)17-11-29)27-30-12-18-34(61-8)19-13-30/h10-23,32,47H,24-28H2,1-9H3,(H,46,54)(H,48,55)/t32-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.135	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