BDBM360912 (R)-tert-butyl 3-(2-(N,N-bis(4- methoxybenzyl)sulfamoyl)-4- iodo-3-(2-(4-methoxybenzyl)- 2H-tetrazol-5- yl)phenylsulfonamido)pyrrolidine- 1-carboxylate::US10221163, Example 68::US10544130, Example 72

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

InChI Key: InChIKey=URIMKCJWSVIKRZ-SSEXGKCCSA-N

Data: 9 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 9 hits for monomerid = 360912   

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)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.97	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)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01	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 VIM-1 (Klebsiella pneumoniae)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.97	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 ()	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	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 ()	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	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)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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									US Patent US10544130 (2020) BindingDB Entry DOI: 10.7270/Q2C82CQH
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM360912 ((R)-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-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01	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