BDBM50044318 CHEMBL305268::METHANESULFONAMIDE::aminosulfane dioxide

SMILES: CS(N)(=O)=O

InChI Key: InChIKey=HNQIVZYLYMDVSB-UHFFFAOYSA-N

Data: 2 KI  2 IC50  1 Kd

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 5 hits for monomerid = 50044318   

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 1 (Homo sapiens (Human))	BDBM50044318 (CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...) Show SMILES CS(N)(=O)=O Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2353-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.091 BindingDB Entry DOI: 10.7270/Q2KK9CJW
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50044318 (CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...) Show SMILES CS(N)(=O)=O Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2353-8 (2005) Article DOI: 10.1016/j.bmcl.2005.02.091 BindingDB Entry DOI: 10.7270/Q2KK9CJW
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase (Bos taurus)	BDBM50044318 (CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...) Show SMILES CS(N)(=O)=O Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of bovine carbonic anhydrase 2				J Med Chem 61: 5822-5880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01788
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50044318 (CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...) Show SMILES CS(N)(=O)=O Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	1.26E+5	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against Carbonic anhydrase II				J Med Chem 45: 2770-80 (2002) Article DOI: 10.1021/jm0105833 BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair				3D Structure (docked)
Carbonic anhydrase I (Homo sapiens (Human))	BDBM50044318 (CHEMBL305268 | METHANESULFONAMIDE | aminosulfane d...) Show SMILES CS(N)(=O)=O Show InChI InChI=1S/CH5NO2S/c1-5(2,3)4/h1H3,(H2,2,3,4)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of crude dog red blood cell carbonic anhydrase				J Med Chem 36: 2134-41 (1993) BindingDB Entry DOI: 10.7270/Q2GX49N1
					More data for this Ligand-Target Pair