BDBM50292077 CHEMBL33478::[[2-(2-{2-[Carboxymethyl-(2-sulfamoyl-benzothiazol-6-yloxycarbonylmethyl)-amino]-ethoxy}-ethoxy)-ethyl]-(2-sulfamoyl-benzothiazol-6-yloxycarbonylmethyl)-amino]-acetic acid

SMILES: NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1

InChI Key: InChIKey=DWSHVVSVJWDKEK-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 = 50292077   

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))	BDBM50292077 (CHEMBL33478 | [[2-(2-{2-[Carboxymethyl-(2-sulfamoy...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H32N6O14S4/c29-51(41,42)27-31-19-3-1-17(11-21(19)49-27)47-25(39)15-33(13-23(35)36)5-7-45-9-10-46-8-6-34(14-24(37)38)16-26(40)48-18-2-4-20-22(12-18)50-28(32-20)52(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,35,36)(H,37,38)(H2,29,41,42)(H2,30,43,44)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.600	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				3D Structure (docked)
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50292077 (CHEMBL33478 | [[2-(2-{2-[Carboxymethyl-(2-sulfamoy...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H32N6O14S4/c29-51(41,42)27-31-19-3-1-17(11-21(19)49-27)47-25(39)15-33(13-23(35)36)5-7-45-9-10-46-8-6-34(14-24(37)38)16-26(40)48-18-2-4-20-22(12-18)50-28(32-20)52(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,35,36)(H,37,38)(H2,29,41,42)(H2,30,43,44)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 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))	BDBM50292077 (CHEMBL33478 | [[2-(2-{2-[Carboxymethyl-(2-sulfamoy...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C28H32N6O14S4/c29-51(41,42)27-31-19-3-1-17(11-21(19)49-27)47-25(39)15-33(13-23(35)36)5-7-45-9-10-46-8-6-34(14-24(37)38)16-26(40)48-18-2-4-20-22(12-18)50-28(32-20)52(30,43)44/h1-4,11-12H,5-10,13-16H2,(H,35,36)(H,37,38)(H2,29,41,42)(H2,30,43,44)	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	21	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