Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.6 BDBM427475

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

Found 3 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)	BDBM427475 ((S)-4-(2-(aminomethyl)-1H-benzo[d]imidazol-4-yl)-N...) Show SMILES NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r| Show InChI InChI=1S/C20H23N11O4S2/c21-8-16-26-14-3-1-2-13(18(14)27-16)12-4-5-15(37(34,35)25-10-11-9-23-6-7-24-11)19(36(22,32)33)17(12)20-28-30-31-29-20/h1-5,11,23-25H,6-10,21H2,(H2,22,32,33)/b13-12+/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0990	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 ()	BDBM427475 ((S)-4-(2-(aminomethyl)-1H-benzo[d]imidazol-4-yl)-N...) Show SMILES NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r| Show InChI InChI=1S/C20H23N11O4S2/c21-8-16-26-14-3-1-2-13(18(14)27-16)12-4-5-15(37(34,35)25-10-11-9-23-6-7-24-11)19(36(22,32)33)17(12)20-28-30-31-29-20/h1-5,11,23-25H,6-10,21H2,(H2,22,32,33)/b13-12+/t11-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.110	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)	BDBM427475 ((S)-4-(2-(aminomethyl)-1H-benzo[d]imidazol-4-yl)-N...) Show SMILES NCc1nc2c(cccc2[nH]1)-c1ccc(c(c1-c1nn[nH]n1)S(N)(=O)=O)S(=O)(=O)NC[C@@H]1CNCCN1 |r| Show InChI InChI=1S/C20H23N11O4S2/c21-8-16-26-14-3-1-2-13(18(14)27-16)12-4-5-15(37(34,35)25-10-11-9-23-6-7-24-11)19(36(22,32)33)17(12)20-28-30-31-29-20/h1-5,11,23-25H,6-10,21H2,(H2,22,32,33)/b13-12+/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.27	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