BDBM11930 2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfonamide::AL5927::N-[(4-METHOXYPHENYL)METHYL]2,5-THIOPHENEDESULFONAMIDE

SMILES: COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1

InChI Key: InChIKey=LRRAIRJIZOLGPR-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 11930   

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))	BDBM11930 (2-N-[(4-methoxyphenyl)methyl]thiophene-2,5-disulfo...) Show SMILES COc1ccc(CNS(=O)(=O)c2ccc(s2)S(N)(=O)=O)cc1 Show InChI InChI=1S/C12H14N2O5S3/c1-19-10-4-2-9(3-5-10)8-14-22(17,18)12-7-6-11(20-12)21(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	n/a	n/a	n/a	0.490	n/a	n/a	n/a	7.4	37
University of Pennsylvania					Assay Description The binding of test compounds to purified human erythrocyte carbonic anhydrase II was determined by a fluorescence competition assay using a Perkin-E...				Protein Sci 7: 2483-9 (1998) Article DOI: 10.1002/pro.5560071201 BindingDB Entry DOI: 10.7270/Q27W69FK
					More data for this Ligand-Target Pair				3D Structure (docked)