BDBM50292090 (Carboxymethyl-{2-[2-(2-{carboxymethyl-[(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenecarbamoyl)-methyl]-amino}-ethoxy)-ethoxy]-ethyl}-amino)-acetic acid::CHEMBL36252

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

InChI Key: InChIKey=DWHIYVFXUXUJOW-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 = 50292090   

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))	BDBM50292090 ((Carboxymethyl-{2-[2-(2-{carboxymethyl-[(3-methyl-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H28N6O11S2/c1-21-16(35-17(20-21)36(18,31)32)19-12(24)8-22(9-13(25)26)2-4-33-6-7-34-5-3-23(10-14(27)28)11-15(29)30/h2-11H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,18,31,32)	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))	BDBM50292090 ((Carboxymethyl-{2-[2-(2-{carboxymethyl-[(3-methyl-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H28N6O11S2/c1-21-16(35-17(20-21)36(18,31)32)19-12(24)8-22(9-13(25)26)2-4-33-6-7-34-5-3-23(10-14(27)28)11-15(29)30/h2-11H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,18,31,32)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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))	BDBM50292090 ((Carboxymethyl-{2-[2-(2-{carboxymethyl-[(3-methyl-...) Show SMILES Cn1nc(sc1=NC(=O)CN(CCOCCOCCN(CC(O)=O)CC(O)=O)CC(O)=O)S(N)(=O)=O |w:6.7| Show InChI InChI=1S/C17H28N6O11S2/c1-21-16(35-17(20-21)36(18,31)32)19-12(24)8-22(9-13(25)26)2-4-33-6-7-34-5-3-23(10-14(27)28)11-15(29)30/h2-11H2,1H3,(H,25,26)(H,27,28)(H,29,30)(H2,18,31,32)	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	66	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