BDBM50415857 CHEMBL205440

SMILES: NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O

InChI Key: InChIKey=ALSIWBCPYRNTNU-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 = 50415857   

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))	BDBM50415857 (CHEMBL205440) Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	72.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GITAM University Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 20: 3089-93 (2010) Article DOI: 10.1016/j.bmcl.2010.03.104 BindingDB Entry DOI: 10.7270/Q28C9XGR
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50415857 (CHEMBL205440) Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.37E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA2				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Bos taurus (bovine))	BDBM50415857 (CHEMBL205440) Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.80E+11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of bovine CA4				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50415857 (CHEMBL205440) Show SMILES NCCCC(=O)OCc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C11H16N2O4S/c12-7-1-2-11(14)17-8-9-3-5-10(6-4-9)18(13,15)16/h3-6H,1-2,7-8,12H2,(H2,13,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.75E+12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
A.P.S. University Curated by ChEMBL					Assay Description Inhibition of human CA1				Bioorg Med Chem Lett 16: 2044-51 (2006) Article DOI: 10.1016/j.bmcl.2005.08.071 BindingDB Entry DOI: 10.7270/Q20Z761V
					More data for this Ligand-Target Pair