BDBM50292086 ([2-(Bis-carboxymethyl-amino)-ethyl]-{[2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethylcarbamoyl]-methyl}-amino)-acetic acid::CHEMBL34867

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)s1

InChI Key: InChIKey=XKHSVUSPZVNCOT-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 = 50292086   

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))	BDBM50292086 (([2-(Bis-carboxymethyl-amino)-ethyl]-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C15H23N7O10S2/c16-34(31,32)15-20-19-14(33-15)18-9(23)1-2-17-10(24)5-21(6-11(25)26)3-4-22(7-12(27)28)8-13(29)30/h1-8H2,(H,17,24)(H,25,26)(H,27,28)(H,29,30)(H2,16,31,32)(H,18,19,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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 activity against Human carbonic anhydrase II				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50292086 (([2-(Bis-carboxymethyl-amino)-ethyl]-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C15H23N7O10S2/c16-34(31,32)15-20-19-14(33-15)18-9(23)1-2-17-10(24)5-21(6-11(25)26)3-4-22(7-12(27)28)8-13(29)30/h1-8H2,(H,17,24)(H,25,26)(H,27,28)(H,29,30)(H2,16,31,32)(H,18,19,23)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	23	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 activity against bovine carbonic anhydrase IV				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50292086 (([2-(Bis-carboxymethyl-amino)-ethyl]-{[2-(5-sulfam...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)s1 Show InChI InChI=1S/C15H23N7O10S2/c16-34(31,32)15-20-19-14(33-15)18-9(23)1-2-17-10(24)5-21(6-11(25)26)3-4-22(7-12(27)28)8-13(29)30/h1-8H2,(H,17,24)(H,25,26)(H,27,28)(H,29,30)(H2,16,31,32)(H,18,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	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 activity against Human carbonic anhydrase I				J Med Chem 45: 1466-76 (2002) BindingDB Entry DOI: 10.7270/Q2N29XN9
					More data for this Ligand-Target Pair