BDBM50292127 CHEMBL262651::{{2-[Carboxymethyl-(2-{carboxymethyl-[(5-sulfamoyl-2,5-dihydro-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-ethyl)-amino]-ethyl}-[(5-sulfamoyl-2,5-dihydro-[1,3,4]thiadiazol-2-ylcarbamoyl)-methyl]-amino}-acetic acid

SMILES: NS(=O)(=O)C1=NNC(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NC2NN=C(S2)S(N)(=O)=O)CC(O)=O)CC(O)=O)S1

InChI Key: InChIKey=SPPSMYWCWFAZCS-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 = 50292127   

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))	BDBM50292127 (CHEMBL262651 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)C1=NNC(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NC2NN=C(S2)S(N)(=O)=O)CC(O)=O)CC(O)=O)S1 |c:29,t:4| Show InChI InChI=1S/C18H31N11O12S4/c19-44(38,39)17-25-23-15(42-17)21-10(30)5-28(8-13(34)35)3-1-27(7-12(32)33)2-4-29(9-14(36)37)6-11(31)22-16-24-26-18(43-16)45(20,40)41/h15-16,23-24H,1-9H2,(H,21,30)(H,22,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,38,39)(H2,20,40,41)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1	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))	BDBM50292127 (CHEMBL262651 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)C1=NNC(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NC2NN=C(S2)S(N)(=O)=O)CC(O)=O)CC(O)=O)S1 |c:29,t:4| Show InChI InChI=1S/C18H31N11O12S4/c19-44(38,39)17-25-23-15(42-17)21-10(30)5-28(8-13(34)35)3-1-27(7-12(32)33)2-4-29(9-14(36)37)6-11(31)22-16-24-26-18(43-16)45(20,40)41/h15-16,23-24H,1-9H2,(H,21,30)(H,22,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,38,39)(H2,20,40,41)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	7	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))	BDBM50292127 (CHEMBL262651 | {{2-[Carboxymethyl-(2-{carboxymethy...) Show SMILES NS(=O)(=O)C1=NNC(NC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)NC2NN=C(S2)S(N)(=O)=O)CC(O)=O)CC(O)=O)S1 |c:29,t:4| Show InChI InChI=1S/C18H31N11O12S4/c19-44(38,39)17-25-23-15(42-17)21-10(30)5-28(8-13(34)35)3-1-27(7-12(32)33)2-4-29(9-14(36)37)6-11(31)22-16-24-26-18(43-16)45(20,40)41/h15-16,23-24H,1-9H2,(H,21,30)(H,22,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,38,39)(H2,20,40,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	50	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