BDBM50097313 ([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2-[(2-{[(2-bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-carboxymethyl-amino}-ethyl)-carboxymethyl-amino]-ethyl}-amino)-acetic acid::CHEMBL287316

SMILES: NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1

InChI Key: InChIKey=UHLGJGLIMGHELQ-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50097313   

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))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	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 2 (Homo sapiens (Human))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase II				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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 Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase IV				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Bos taurus (bovine))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	Reactome pathway KEGG UniProtKB/SwissProt 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 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))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50097313 (([(2-Bromo-4-sulfamoyl-phenylcarbamoyl)-methyl]-{2...) Show SMILES NS(=O)(=O)c1ccc(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)CC(O)=O)CC(O)=O)c(Br)c1 Show InChI InChI=1S/C26H33Br2N7O12S2/c27-18-9-16(48(29,44)45)1-3-20(18)31-22(36)11-34(14-25(40)41)7-5-33(13-24(38)39)6-8-35(15-26(42)43)12-23(37)32-21-4-2-17(10-19(21)28)49(30,46)47/h1-4,9-10H,5-8,11-15H2,(H,31,36)(H,32,37)(H,38,39)(H,40,41)(H,42,43)(H2,29,44,45)(H2,30,46,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Inhibition of cloned isozyme, human carbonic anhydrase I				Bioorg Med Chem Lett 11: 575-82 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GJQ
					More data for this Ligand-Target Pair