null

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

InChI Key: InChIKey=KRKUJEWPCWMSMW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50171018   

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))	BDBM50171018 (4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...) Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	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))	BDBM50171018 (4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...) Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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))	BDBM50171018 (4-(2-{3-[2-Hydroxy-1-hydroxymethyl-2-(4-nitro-phen...) Show SMILES NS(=O)(=O)c1ccc(CC[N-]C(=[SH+])NC(CO)C(O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C18H22N4O6S2/c19-30(27,28)15-7-1-12(2-8-15)9-10-20-18(29)21-16(11-23)17(24)13-3-5-14(6-4-13)22(25)26/h1-8,16-17,23-24H,9-11H2,(H4,19,20,21,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	113	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