Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.5 BDBM361108

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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)	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0240	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 (Klebsiella pneumoniae)	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0240	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 ()	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0930	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
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0930	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)	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.292	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)	BDBM361108 ((R)-4-(2-amino-1H-benzo[d] imidazol-4-yl)-N1-(1- a...) Show SMILES CC[C@H](CN)NS(=O)(=O)c1ccc(-c2cccc3[nH]c(N)nc23)c(-c2nn[nH]n2)c1S(N)(=O)=O |r| Show InChI InChI=1S/C18H20N10O4S2/c1-2-9(8-19)26-34(31,32)13-7-6-10(11-4-3-5-12-15(11)23-18(20)22-12)14(16(13)33(21,29)30)17-24-27-28-25-17/h3-7,9,26H,2,8,19H2,1H3,(H2,20,22)(H2,21,29,30)/b11-10+/t9-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.292	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