BDBM50097295 (Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-amino)-acetic acid::CHEMBL289888::[Carboxymethyl-(2-{carboxymethyl-[2-(carboxymethyl-{[3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-ylidenecarbamoyl]-methyl}-amino)-ethyl]-amino}-ethyl)-amino]-acetic acid

SMILES: Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O

InChI Key: InChIKey=BUPGPOBWZWXNCY-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 = 50097295   

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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	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 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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	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	62	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))	BDBM50097295 ((Carboxymethyl-{2-[carboxymethyl-(2-{carboxymethyl...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H27N7O11S2/c1-21-16(36-17(20-21)37(18,34)35)19-11(25)6-23(8-13(28)29)4-2-22(7-12(26)27)3-5-24(9-14(30)31)10-15(32)33/h2-10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,18,34,35)	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	62	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