BDBM50292087 CHEMBL34253::{(2-{Carboxymethyl-[(2-sulfamoyl-benzothiazol-6-ylcarbamoyl)-methyl]-amino}-ethyl)-[(2-sulfamoyl-benzothiazol-6-ylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1

InChI Key: InChIKey=FDOOJSUSIHNGDJ-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 = 50292087   

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))	BDBM50292087 (CHEMBL34253 | {(2-{Carboxymethyl-[(2-sulfamoyl-ben...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H26N8O10S4/c25-45(39,40)23-29-15-3-1-13(7-17(15)43-23)27-19(33)9-31(11-21(35)36)5-6-32(12-22(37)38)10-20(34)28-14-2-4-16-18(8-14)44-24(30-16)46(26,41)42/h1-4,7-8H,5-6,9-12H2,(H,27,33)(H,28,34)(H,35,36)(H,37,38)(H2,25,39,40)(H2,26,41,42)	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))	BDBM50292087 (CHEMBL34253 | {(2-{Carboxymethyl-[(2-sulfamoyl-ben...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H26N8O10S4/c25-45(39,40)23-29-15-3-1-13(7-17(15)43-23)27-19(33)9-31(11-21(35)36)5-6-32(12-22(37)38)10-20(34)28-14-2-4-16-18(8-14)44-24(30-16)46(26,41)42/h1-4,7-8H,5-6,9-12H2,(H,27,33)(H,28,34)(H,35,36)(H,37,38)(H2,25,39,40)(H2,26,41,42)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	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))	BDBM50292087 (CHEMBL34253 | {(2-{Carboxymethyl-[(2-sulfamoyl-ben...) Show SMILES NS(=O)(=O)c1nc2ccc(NC(=O)CN(CCN(CC(O)=O)CC(=O)Nc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)cc2s1 Show InChI InChI=1S/C24H26N8O10S4/c25-45(39,40)23-29-15-3-1-13(7-17(15)43-23)27-19(33)9-31(11-21(35)36)5-6-32(12-22(37)38)10-20(34)28-14-2-4-16-18(8-14)44-24(30-16)46(26,41)42/h1-4,7-8H,5-6,9-12H2,(H,27,33)(H,28,34)(H,35,36)(H,37,38)(H2,25,39,40)(H2,26,41,42)	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	33	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