BDBM360881 4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydroxymethyl)cyclopropyl] methyl}-3-(1H-tetrazol- 5-yl)benzene-1,2- disulfonamide::US10221163, Example 37::US10544130, Example 37

SMILES: Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1

InChI Key: InChIKey=JKXPEBYUPDCQQP-UHFFFAOYSA-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 = 360881   

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)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.287	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)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	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 ()	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.198	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)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.287	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)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	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)	BDBM360881 (4-(2-amino-1,3- benzothiazol-4-yl)-N1-{[1- (hydrox...) Show SMILES Nc1nc2c(cccc2s1)-c1ccc(c(c1-c1nnn[nH]1)S(N)(=O)=O)S(=O)(=O)NCC1(CO)CC1 Show InChI InChI=1S/C19H20N8O5S3/c20-18-23-15-11(2-1-3-12(15)33-18)10-4-5-13(35(31,32)22-8-19(9-28)6-7-19)16(34(21,29)30)14(10)17-24-26-27-25-17/h1-5,22,28H,6-9H2,(H2,20,23)(H2,21,29,30)(H,24,25,26,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.198	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