BDBM44608 MLS000082806::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]-1-piperazinyl]-4-oxobutanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxidanylidene-butanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-4-oxobutanamide::N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-keto-4-[4-[2-(4-methylphenoxy)ethyl]piperazino]butyramide::SMR000059786::cid_663447

SMILES: CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1

InChI Key: InChIKey=LNGWVZBNOGLPNY-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 = 44608   

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
Factor XIIa (Homo sapiens (Human))	BDBM44608 (MLS000082806 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4...) Show SMILES CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 Show InChI InChI=1S/C21H29N5O3S/c1-3-19-23-24-21(30-19)22-18(27)8-9-20(28)26-12-10-25(11-13-26)14-15-29-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q21G0JQS
					More data for this Ligand-Target Pair
Multidrug resistance protein 1/Multidrug resistance associated protein 1 (Homo sapiens (Human))	BDBM44608 (MLS000082806 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4...) Show SMILES CCc1nnc(NC(=O)CCC(=O)N2CCN(CCOc3ccc(C)cc3)CC2)s1 Show InChI InChI=1S/C21H29N5O3S/c1-3-19-23-24-21(30-19)22-18(27)8-9-20(28)26-12-10-25(11-13-26)14-15-29-17-6-4-16(2)5-7-17/h4-7H,3,8-15H2,1-2H3,(H,22,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.71E+3	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 C...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q25719FH
					More data for this Ligand-Target Pair