BDBM50165745 CHEMBL382111::N-(5-Mercapto-[1,3,4]thiadiazol-2-yl)-acetamide

SMILES: CC(=O)Nc1nnc(S)s1

InChI Key: InChIKey=DWSMAMSVZRCQMP-UHFFFAOYSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50165745   

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 1 (Homo sapiens (Human))	BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) Show SMILES CC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase I				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) Show SMILES CC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase II				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) Show SMILES CC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bucharest Curated by ChEMBL					Assay Description Inhibitory constant against human Carbonic anhydrase IX				Bioorg Med Chem Lett 15: 2347-52 (2005) Article DOI: 10.1016/j.bmcl.2005.02.088 BindingDB Entry DOI: 10.7270/Q2348JW7
					More data for this Ligand-Target Pair
Endochitinase A1 (Neosartorya fumigata (Aspergillus fumigatus))	BDBM50165745 (CHEMBL382111 | N-(5-Mercapto-[1,3,4]thiadiazol-2-y...) Show SMILES CC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C4H5N3OS2/c1-2(8)5-3-6-7-4(9)10-3/h1H3,(H,7,9)(H,5,6,8)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Dundee Curated by ChEMBL					Assay Description Inhibition of Aspergillus fumigatus ChiA1 expressed in Pichia pastoris after 70 mins				Bioorg Med Chem 18: 8334-40 (2010) Article DOI: 10.1016/j.bmc.2010.09.062 BindingDB Entry DOI: 10.7270/Q2NZ87WR
					More data for this Ligand-Target Pair				3D Structure (docked)