BDBM50256513 CHEMBL459356::N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]sulfamide

SMILES: CSc1nnc(NS(N)(=O)=O)s1

InChI Key: InChIKey=AJEMPSSJQSOJKR-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50256513   

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))	BDBM50256513 (CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...) Show SMILES CSc1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50256513 (CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...) Show SMILES CSc1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of human recombinant cytosolic carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
					More data for this Ligand-Target Pair
Carbonic Anhydrase VB (Homo sapiens (Human))	BDBM50256513 (CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...) Show SMILES CSc1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5B preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
					More data for this Ligand-Target Pair
Carbonic anhydrase 4 (Homo sapiens (Human))	BDBM50256513 (CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...) Show SMILES CSc1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of truncated human cloned membrane-associated carbonic anhydrase 4 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
					More data for this Ligand-Target Pair
Carbonic Anhydrase VA (Homo sapiens (Human))	BDBM50256513 (CHEMBL459356 | N-[5-(methylthio)-1,3,4-thiadiazol-...) Show SMILES CSc1nnc(NS(N)(=O)=O)s1 Show InChI InChI=1S/C3H6N4O2S3/c1-10-3-6-5-2(11-3)7-12(4,8)9/h1H3,(H,5,7)(H2,4,8,9)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Nationale Sup£rieure de Chimie de Montpellier Curated by ChEMBL					Assay Description Inhibition of full length human recombinant mitochondrial carbonic anhydrase 5A pre-incubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem Lett 18: 6332-5 (2008) Article DOI: 10.1016/j.bmcl.2008.10.093 BindingDB Entry DOI: 10.7270/Q26T0NK7
					More data for this Ligand-Target Pair