BDBM50234175 CHEMBL4070416

SMILES: NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1

InChI Key: InChIKey=IOUPLWDACNSBDM-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50234175   

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 2 (Homo sapiens (Human))	BDBM50234175 (CHEMBL4070416) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H15N3O6S2/c15-24(20,21)13-5-1-11(2-6-13)9-10-16-25(22,23)14-7-3-12(4-8-14)17(18)19/h1-8,16H,9-10H2,(H2,15,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measured for 10 to ...				Bioorg Med Chem Lett 27: 490-495 (2017) BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair
Carbonic anhydrase (Homo sapiens (Human))	BDBM50234175 (CHEMBL4070416) Show SMILES NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C14H15N3O6S2/c15-24(20,21)13-5-1-11(2-6-13)9-10-16-25(22,23)14-7-3-12(4-8-14)17(18)19/h1-8,16H,9-10H2,(H2,15,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Bioscienze e Biorisorse Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 1 assessed as reduction in CO2 hydration preincubated for 15 mins followed by CO2 addition measure...				Bioorg Med Chem Lett 27: 490-495 (2017) BindingDB Entry DOI: 10.7270/Q2PN97XS
					More data for this Ligand-Target Pair