BDBM50292073 CHEMBL35061::{(2-Hydroxy-phenyl)-[2-((2-hydroxy-phenyl)-{[2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethylcarbamoyl]-methyl}-amino)-ethyl]-amino}-acetic acid

SMILES: NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)c2ccccc2O)c2ccccc2O)s1

InChI Key: InChIKey=GMFHJKFOVOFXCU-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 = 50292073   

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))	BDBM50292073 (CHEMBL35061 | {(2-Hydroxy-phenyl)-[2-((2-hydroxy-p...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)c2ccccc2O)c2ccccc2O)s1 Show InChI InChI=1S/C23H27N7O8S2/c24-40(37,38)23-28-27-22(39-23)26-19(33)9-10-25-20(34)13-29(15-5-1-3-7-17(15)31)11-12-30(14-21(35)36)16-6-2-4-8-18(16)32/h1-8,31-32H,9-14H2,(H,25,34)(H,35,36)(H2,24,37,38)(H,26,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	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))	BDBM50292073 (CHEMBL35061 | {(2-Hydroxy-phenyl)-[2-((2-hydroxy-p...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)c2ccccc2O)c2ccccc2O)s1 Show InChI InChI=1S/C23H27N7O8S2/c24-40(37,38)23-28-27-22(39-23)26-19(33)9-10-25-20(34)13-29(15-5-1-3-7-17(15)31)11-12-30(14-21(35)36)16-6-2-4-8-18(16)32/h1-8,31-32H,9-14H2,(H,25,34)(H,35,36)(H2,24,37,38)(H,26,27,33)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	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))	BDBM50292073 (CHEMBL35061 | {(2-Hydroxy-phenyl)-[2-((2-hydroxy-p...) Show SMILES NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CCN(CC(O)=O)c2ccccc2O)c2ccccc2O)s1 Show InChI InChI=1S/C23H27N7O8S2/c24-40(37,38)23-28-27-22(39-23)26-19(33)9-10-25-20(34)13-29(15-5-1-3-7-17(15)31)11-12-30(14-21(35)36)16-6-2-4-8-18(16)32/h1-8,31-32H,9-14H2,(H,25,34)(H,35,36)(H2,24,37,38)(H,26,27,33)	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	210	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