BDBM50050906 CHEMBL3309854

SMILES: NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=WERYFCMHCDFDSE-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50050906   

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))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA12 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA9 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA2 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50050906 (CHEMBL3309854) Show SMILES NS(=O)(=O)c1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1 Show InChI InChI=1S/C14H11N3O7S2/c15-26(21,22)12-8-6-10(7-9-12)23-13-14(17(18)24-16-13)25(19,20)11-4-2-1-3-5-11/h1-9H,(H2,15,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Curated by ChEMBL					Assay Description Inhibition of human CA1 by CO2 hydration activity based stopped flow assay				Bioorg Med Chem 22: 3913-21 (2014) Article DOI: 10.1016/j.bmc.2014.06.016 BindingDB Entry DOI: 10.7270/Q2Q241WD
					More data for this Ligand-Target Pair