null

SMILES: NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=AULVCRIXDUXOJD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50171030   

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
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50171030 (4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...) Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against catalytic domain of human carbonic anhydrase XII				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50171030 (4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...) Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase II				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50171030 (4-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phenyl)...) Show SMILES NS(=O)(=O)c1ccc(NC(=[SH+])[N-]C(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C16H18N4O6S2/c17-28(25,26)13-7-3-11(4-8-13)18-16(27)19-14(9-21)15(22)10-1-5-12(6-2-10)20(23)24/h1-8,14-15,21-22H,9H2,(H4,17,18,19,25,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi Curated by ChEMBL					Assay Description Inhibitory activity against human carbonic anhydrase I				Bioorg Med Chem Lett 15: 3821-7 (2005) Article DOI: 10.1016/j.bmcl.2005.06.054 BindingDB Entry DOI: 10.7270/Q2H132SW
					More data for this Ligand-Target Pair