BDBM367839 (2-amino-3- cyanophenyl) boronic acid::US10227331, Example 26::US10544130, Example 11

SMILES: Nc1c(cccc1B(O)O)C#N

InChI Key: InChIKey=HCBQCTAFMHAHIT-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 = 367839   

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)	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair
Beta-lactamase NDM-1 (Klebsiella pneumoniae)	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	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
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair
Beta-lactamase ()	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	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)	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.105	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)	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0190	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 (Pseudomonas aeruginosa)	BDBM367839 ((2-amino-3- cyanophenyl) boronic acid | US10227331...) Show SMILES Nc1c(cccc1B(O)O)C#N Show InChI InChI=1S/C7H7BN2O2/c9-4-5-2-1-3-6(7(5)10)8(11)12/h1-3,11-12H,10H2	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					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 ...				J Med Chem 51: 1231-41 (2008) BindingDB Entry DOI: 10.7270/Q2Z60RCD
					More data for this Ligand-Target Pair