Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50032123   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Beta-lactamase AmpC (Escherichia coli)	BDBM50324682 (3-(N-(4-carboxy-2-hydroxyphenyl)sulfamoyl)thiophen...) Show SMILES OC(=O)c1sccc1S(=O)(=O)Nc1ccc(cc1O)C(O)=O Show InChI InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50324679 (2-(ACETYLAMINO)THIOPHENE-3-CARBOXYLIC ACID | 2-ace...) Show SMILES CC(=O)Nc1sccc1C(O)=O Show InChI InChI=1S/C7H7NO3S/c1-4(9)8-6-5(7(10)11)2-3-12-6/h2-3H,1H3,(H,8,9)(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	5.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50324680 (4-(methylsulfonamido)benzoic acid | 4-Methanesulfo...) Show SMILES CS(=O)(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C8H9NO4S/c1-14(12,13)9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	1.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50324681 (4-AMINO-3-HYDROXYBENZOIC ACID | CHEMBL1462) Show SMILES Nc1ccc(cc1O)C(O)=O Show InChI InChI=1S/C7H7NO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,8H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.90E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase AmpC (Escherichia coli)	BDBM50324678 (CHEMBL1222314 | thiophene-2-carboxylic acid) Show SMILES OC(=O)c1cccs1 Show InChI InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	4.00E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Escherichia coli AmpC assessed as nitrocefin hydrolysis by UV-Vis spectrophotometry				Nat Chem Biol 2: 720-3 (2006) Article DOI: 10.1038/nchembio831 BindingDB Entry DOI: 10.7270/Q2FN16DF
					More data for this Ligand-Target Pair				3D Structure (crystal)