null

SMILES: NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O

InChI Key: InChIKey=GMFZVVNOWSRWGU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50097274   

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))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	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 2 (Homo sapiens (Human))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	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 4 (Homo sapiens (Human))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	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 4 (Bos taurus (bovine))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	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 1 (Homo sapiens (Human))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	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))	BDBM50097274 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES NS(=O)(=O)c1cc(c(NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)c(Cl)c1Cl)S(N)(=O)=O Show InChI InChI=1S/C20H28Cl2N6O13S2/c21-18-11(42(23,38)39)5-12(43(24,40)41)20(19(18)22)25-13(29)6-27(8-15(32)33)3-1-26(7-14(30)31)2-4-28(9-16(34)35)10-17(36)37/h5H,1-4,6-10H2,(H,25,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,23,38,39)(H2,24,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	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