BDBM44222 5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione::5-(p-phenetidino)-3H-1,3,4-thiadiazole-2-thione::5-[(4-ethoxyphenyl)amino]-3H-1,3,4-thiadiazole-2-thione::MLS000416407::SMR000264217::cid_3721677

SMILES: CCOc1ccc(Nc2nnc(S)s2)cc1

InChI Key: InChIKey=DAVVZTNEMMMGOB-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 44222   

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
leucine aminopeptidase (Plasmodium falciparum 3D7)	BDBM44222 (5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione ...) Show SMILES CCOc1ccc(Nc2nnc(S)s2)cc1 Show InChI InChI=1S/C10H11N3OS2/c1-2-14-8-5-3-7(4-6-8)11-9-12-13-10(15)16-9/h3-6H,2H2,1H3,(H,11,12)(H,13,15)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
SRMLSC Curated by PubChem BioAssay					Assay Description Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q27W69N8
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM44222 (5-(4-ethoxyanilino)-3H-1,3,4-thiadiazole-2-thione ...) Show SMILES CCOc1ccc(Nc2nnc(S)s2)cc1 Show InChI InChI=1S/C10H11N3OS2/c1-2-14-8-5-3-7(4-6-8)11-9-12-13-10(15)16-9/h3-6H,2H2,1H3,(H,11,12)(H,13,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	46.5	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair