BDBM50292022 CHEMBL35186::{{2-[2-(2-{Carboxymethyl-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-ethoxy)-ethoxy]-ethyl}-[2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethoxycarbonylmethyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1

InChI Key: InChIKey=VMXKZXYUKBFHEP-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 = 50292022   

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))	BDBM50292022 (CHEMBL35186 | {{2-[2-(2-{Carboxymethyl-[2-(2-sulfa...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C32H40N6O16S4/c33-57(45,46)31-35-23-3-1-21(15-25(23)55-31)51-11-13-53-29(43)19-37(17-27(39)40)5-7-49-9-10-50-8-6-38(18-28(41)42)20-30(44)54-14-12-52-22-2-4-24-26(16-22)56-32(36-24)58(34,47)48/h1-4,15-16H,5-14,17-20H2,(H,39,40)(H,41,42)(H2,33,45,46)(H2,34,47,48)	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))	BDBM50292022 (CHEMBL35186 | {{2-[2-(2-{Carboxymethyl-[2-(2-sulfa...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C32H40N6O16S4/c33-57(45,46)31-35-23-3-1-21(15-25(23)55-31)51-11-13-53-29(43)19-37(17-27(39)40)5-7-49-9-10-50-8-6-38(18-28(41)42)20-30(44)54-14-12-52-22-2-4-24-26(16-22)56-32(36-24)58(34,47)48/h1-4,15-16H,5-14,17-20H2,(H,39,40)(H,41,42)(H2,33,45,46)(H2,34,47,48)	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))	BDBM50292022 (CHEMBL35186 | {{2-[2-(2-{Carboxymethyl-[2-(2-sulfa...) Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCOCCOCCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C32H40N6O16S4/c33-57(45,46)31-35-23-3-1-21(15-25(23)55-31)51-11-13-53-29(43)19-37(17-27(39)40)5-7-49-9-10-50-8-6-38(18-28(41)42)20-30(44)54-14-12-52-22-2-4-24-26(16-22)56-32(36-24)58(34,47)48/h1-4,15-16H,5-14,17-20H2,(H,39,40)(H,41,42)(H2,33,45,46)(H2,34,47,48)	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	15	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