BDBM50292122 CHEMBL34488::[{2-[Carboxymethyl-(2-sulfamoyl-benzothiazol-6-yloxycarbonylmethyl)-amino]-ethyl}-(2-sulfamoyl-benzothiazol-6-yloxycarbonylmethyl)-amino]-acetic acid

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

InChI Key: InChIKey=ZEDBWMYOHLASAQ-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 = 50292122   

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))	BDBM50292122 (CHEMBL34488 | [{2-[Carboxymethyl-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H24N6O12S4/c25-45(37,38)23-27-15-3-1-13(7-17(15)43-23)41-21(35)11-29(9-19(31)32)5-6-30(10-20(33)34)12-22(36)42-14-2-4-16-18(8-14)44-24(28-16)46(26,39)40/h1-4,7-8H,5-6,9-12H2,(H,31,32)(H,33,34)(H2,25,37,38)(H2,26,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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 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))	BDBM50292122 (CHEMBL34488 | [{2-[Carboxymethyl-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H24N6O12S4/c25-45(37,38)23-27-15-3-1-13(7-17(15)43-23)41-21(35)11-29(9-19(31)32)5-6-30(10-20(33)34)12-22(36)42-14-2-4-16-18(8-14)44-24(28-16)46(26,39)40/h1-4,7-8H,5-6,9-12H2,(H,31,32)(H,33,34)(H2,25,37,38)(H2,26,39,40)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	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))	BDBM50292122 (CHEMBL34488 | [{2-[Carboxymethyl-(2-sulfamoyl-benz...) Show SMILES NS(=O)(=O)c1nc2ccc(OC(=O)CN(CCN(CC(O)=O)CC(=O)Oc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H24N6O12S4/c25-45(37,38)23-27-15-3-1-13(7-17(15)43-23)41-21(35)11-29(9-19(31)32)5-6-30(10-20(33)34)12-22(36)42-14-2-4-16-18(8-14)44-24(28-16)46(26,39)40/h1-4,7-8H,5-6,9-12H2,(H,31,32)(H,33,34)(H2,25,37,38)(H2,26,39,40)	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	37	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