BDBM50097304 CHEMBL32096::[Carboxymethyl-(2-{carboxymethyl-[2-(carboxymethyl-{[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-amino]-acetic acid

SMILES: NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1

InChI Key: InChIKey=PHFFXGUUXGOEQY-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 = 50097304   

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))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	PDB MMDB 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 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 2 (Homo sapiens (Human))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	PDB MMDB 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 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))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 4 (Homo sapiens (Human))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	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 1 (Homo sapiens (Human))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	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	290	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
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50097304 (CHEMBL32096 | [Carboxymethyl-(2-{carboxymethyl-[2-...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)cc1 Show InChI InChI=1S/C22H33N5O11S/c23-39(37,38)17-3-1-16(2-4-17)5-6-24-18(28)11-26(13-20(31)32)9-7-25(12-19(29)30)8-10-27(14-21(33)34)15-22(35)36/h1-4H,5-15H2,(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)(H2,23,37,38)	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	290	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