BDBM59952 2-[2-(3-Ethyl-quinolin-2-ylsulfanyl)-acetylamino]-4,5-dimethoxy-benzoic acid::2-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid::2-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid::MLS000548290::SMR000171062::cid_3207888

SMILES: CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

InChI Key: InChIKey=YWVAYGMXZUMNPE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 59952   

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
Procathepsin L (Homo sapiens (Human))	BDBM59952 (2-[2-(3-Ethyl-quinolin-2-ylsulfanyl)-acetylamino]-...) Show SMILES CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C22H22N2O5S/c1-4-13-9-14-7-5-6-8-16(14)24-21(13)30-12-20(25)23-17-11-19(29-3)18(28-2)10-15(17)22(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>5.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2NZ8631
					More data for this Ligand-Target Pair
leucine aminopeptidase (Plasmodium falciparum 3D7)	BDBM59952 (2-[2-(3-Ethyl-quinolin-2-ylsulfanyl)-acetylamino]-...) Show SMILES CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C22H22N2O5S/c1-4-13-9-14-7-5-6-8-16(14)24-21(13)30-12-20(25)23-17-11-19(29-3)18(28-2)10-15(17)22(26)27/h5-11H,4,12H2,1-3H3,(H,23,25)(H,26,27)	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