Affinity Data by PDB ID

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PDB code 1KDS

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Beta-lactamase AmpC (358/358 = 100%)^† (Escherichia coli)	BDBM50067887 (3-NITROPHENYLBORONIC ACID \| 3-Nitro-phenyl-1-dihyd...) Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Inhibitory activity against E. coli AmpC beta-lactamase.				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (358/358 = 100%)^† (Escherichia coli)	BDBM50067887 (3-NITROPHENYLBORONIC ACID \| 3-Nitro-phenyl-1-dihyd...) Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity of the compound towards AmpC beta-lactamase binding site from Escherichia coli				J Med Chem 45: 3222-34 (2002) Article DOI: 10.1021/jm020002p BindingDB Entry DOI: 10.7270/Q2CN737M
Northwestern University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (358/358 = 100%)^† (Escherichia coli)	BDBM50067887 (3-NITROPHENYLBORONIC ACID \| 3-Nitro-phenyl-1-dihyd...) Show SMILES O[B-](=[OH+])c1cccc(c1)[N+]([O-])=O Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar	Purchase CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Medical School Curated by ChEMBL					Assay Description Compound was tested for its specificity against AmpC beta-lactamase				J Med Chem 41: 4577-86 (1998) Article DOI: 10.1021/jm980343w BindingDB Entry DOI: 10.7270/Q22N51FX
Northwestern University Medical School Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output