BDBM11048 N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-({2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]ethyl}disulfanyl)propanamide::N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-3-[(3-{[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)dithio]propanamide::disulfide-containing sulfonamide 3

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1

InChI Key: InChIKey=ATIAHMMSIUIHRM-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 = 11048   

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))	BDBM11048 (N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-({2-[(5-su...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C10H14N8O6S6/c11-29(21,22)9-17-15-7(27-9)13-5(19)1-3-25-26-4-2-6(20)14-8-16-18-10(28-8)30(12,23)24/h1-4H2,(H2,11,21,22)(H2,12,23,24)(H,13,15,19)(H,14,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM11048 (N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-({2-[(5-su...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C10H14N8O6S6/c11-29(21,22)9-17-15-7(27-9)13-5(19)1-3-25-26-4-2-6(20)14-8-16-18-10(28-8)30(12,23)24/h1-4H2,(H2,11,21,22)(H2,12,23,24)(H,13,15,19)(H,14,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	60	-9.75	n/a	n/a	n/a	n/a	n/a	7.5	22
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM11048 (N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-({2-[(5-su...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCSSCCC(=O)Nc2nnc(s2)S(N)(=O)=O)s1 Show InChI InChI=1S/C10H14N8O6S6/c11-29(21,22)9-17-15-7(27-9)13-5(19)1-3-25-26-4-2-6(20)14-8-16-18-10(28-8)30(12,23)24/h1-4H2,(H2,11,21,22)(H2,12,23,24)(H,13,15,19)(H,14,16,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini-CNR					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...				J Med Chem 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805
					More data for this Ligand-Target Pair				3D Structure (docked)