BDBM61908 2-methyl-1,2-benzothiazol-3-one::KUC103657N::cid_351236

SMILES: Cn1sc2ccccc2c1=O

InChI Key: InChIKey=RDWXSJCICPOOKO-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 = 61908   

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
hexokinase (Trypanosoma brucei)	BDBM61908 (2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...) Show SMILES Cn1sc2ccccc2c1=O Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description Excerpt from MH0882340 application (Dr. James Morris, Clemson University) Trypanosoma brucei, the digenic protozoan parasite that causes African slee...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q21834XK
					More data for this Ligand-Target Pair
Probable global transcription activator SNF2L2 (Homo sapiens (Human))	BDBM61908 (2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...) Show SMILES Cn1sc2ccccc2c1=O Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.12E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GF0S4R
					More data for this Ligand-Target Pair
Replicase polyprotein 1ab (2019-nCoV)	BDBM61908 (2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...) Show SMILES Cn1sc2ccccc2c1=O Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Monoglyceride lipase (Rattus norvegicus (Rat))	BDBM61908 (2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...) Show SMILES Cn1sc2ccccc2c1=O Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of recombinant rat MGL expressed in human HeLa cells using 2-oleoylglycerol as substrate preincubated for 10 mins followed by substrate ad...				J Med Chem 63: 1261-1280 (2020) Article DOI: 10.1021/acs.jmedchem.9b01679
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM61908 (2-methyl-1,2-benzothiazol-3-one | KUC103657N | acs...) Show SMILES Cn1sc2ccccc2c1=O Show InChI InChI=1S/C8H7NOS/c1-9-8(10)6-4-2-3-5-7(6)11-9/h2-5H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
NanKai University Curated by ChEMBL					Assay Description Inhibition of recombinant human caspase-3 using Ac-LDEVD-AMC as substrate assessed as accumulation of 7-AMC incubated for 10 mins followed by substra...				Bioorg Med Chem 21: 2960-7 (2013) Article DOI: 10.1016/j.bmc.2013.03.075 BindingDB Entry DOI: 10.7270/Q2VQ343R
					More data for this Ligand-Target Pair