BDBM50211837 2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]phenyl N-(benzenesulfonyl)carbamate::CHEMBL438693

SMILES: NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1

InChI Key: InChIKey=XGARAXCQUFPNOO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50211837   

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))	BDBM50211837 (2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...) Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11| Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Inhibition of human carbonic anhydrase 1				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50211837 (2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...) Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11| Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	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 Inhibition of human carbonic anhydrase 2				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50211837 (2-[(1E)-{[2-(4-sulfamoylphenyl)ethyl]imino}methyl]...) Show SMILES NS(=O)(=O)c1ccc(CCN=Cc2ccccc2OC(=O)NS(=O)(=O)c2ccccc2)cc1 |w:11.11| Show InChI InChI=1S/C22H21N3O6S2/c23-32(27,28)19-12-10-17(11-13-19)14-15-24-16-18-6-4-5-9-21(18)31-22(26)25-33(29,30)20-7-2-1-3-8-20/h1-13,16H,14-15H2,(H,25,26)(H2,23,27,28)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	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 Inhibition of bovin carbonic anhydrase 4				Bioorg Med Chem 15: 4336-50 (2007) Article DOI: 10.1016/j.bmc.2007.04.020 BindingDB Entry DOI: 10.7270/Q28916QG
					More data for this Ligand-Target Pair