BDBM50098113 CHEMBL24119::Sulfamic acid 4-cyano-phenyl ester

SMILES: NS(=O)(=O)Oc1ccc(cc1)C#N

InChI Key: InChIKey=KYMGZNSEGRJUFE-UHFFFAOYSA-N

Data: 5 KI  2 IC50

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 7 hits for monomerid = 50098113   

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 9 (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	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	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier II Curated by ChEMBL					Assay Description Inhibitory concentration against catalytic domain of human cloned carbonic anhydrase IX.				J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier II Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase II				J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	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	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Montpellier II Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase I				J Med Chem 46: 2197-204 (2003) Article DOI: 10.1021/jm021124k BindingDB Entry DOI: 10.7270/Q28P617T
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	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	Article PubMed	480	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
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description In vitro inhibition of estrone sulfatase.				Bioorg Med Chem Lett 12: 1279-82 (2002) BindingDB Entry DOI: 10.7270/Q2MC90K1
					More data for this Ligand-Target Pair
Steryl-sulfatase (Homo sapiens (Human))	BDBM50098113 (CHEMBL24119 | Sulfamic acid 4-cyano-phenyl ester) Show SMILES NS(=O)(=O)Oc1ccc(cc1)C#N Show InChI InChI=1S/C7H6N2O3S/c8-5-6-1-3-7(4-2-6)12-13(9,10)11/h1-4H,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kingston University Curated by ChEMBL					Assay Description Inhibitory concentration against estrone sulfatase				Bioorg Med Chem Lett 11: 899-902 (2001) BindingDB Entry DOI: 10.7270/Q25M6678
					More data for this Ligand-Target Pair