BDBM50292124 CHEMBL35227::{(2-{2-[2-(Bis-carboxymethyl-amino)-ethoxy]-ethoxy}-ethyl)-[(2-sulfamoyl-benzothiazol-6-ylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1

InChI Key: InChIKey=IMIUBDGXYBCWQZ-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 = 50292124   

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))	BDBM50292124 (CHEMBL35227 | {(2-{2-[2-(Bis-carboxymethyl-amino)-...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C21H29N5O11S2/c22-39(34,35)21-24-15-2-1-14(9-16(15)38-21)23-17(27)10-25(11-18(28)29)3-5-36-7-8-37-6-4-26(12-19(30)31)13-20(32)33/h1-2,9H,3-8,10-13H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H2,22,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1	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))	BDBM50292124 (CHEMBL35227 | {(2-{2-[2-(Bis-carboxymethyl-amino)-...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C21H29N5O11S2/c22-39(34,35)21-24-15-2-1-14(9-16(15)38-21)23-17(27)10-25(11-18(28)29)3-5-36-7-8-37-6-4-26(12-19(30)31)13-20(32)33/h1-2,9H,3-8,10-13H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H2,22,34,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7	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))	BDBM50292124 (CHEMBL35227 | {(2-{2-[2-(Bis-carboxymethyl-amino)-...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C21H29N5O11S2/c22-39(34,35)21-24-15-2-1-14(9-16(15)38-21)23-17(27)10-25(11-18(28)29)3-5-36-7-8-37-6-4-26(12-19(30)31)13-20(32)33/h1-2,9H,3-8,10-13H2,(H,23,27)(H,28,29)(H,30,31)(H,32,33)(H2,22,34,35)	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	39	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