BDBM59931 2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acetylamino]-4,5-dimethoxy-benzoic acid::2-[2-(3-ethyl-7-methyl-quinolin-2-yl)sulfanylethanoylamino]-4,5-dimethoxy-benzoic acid::2-[[2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-7-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid::2-[[2-[(3-ethyl-7-methyl-2-quinolyl)thio]acetyl]amino]-4,5-dimethoxy-benzoic acid::MLS000547637::SMR000171056::cid_1440415

SMILES: CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O

InChI Key: InChIKey=OOKPTWZUUYIFFQ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 59931   

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)	BDBM59931 (2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acet...) Show SMILES CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C23H24N2O5S/c1-5-14-9-15-7-6-13(2)8-17(15)25-22(14)31-12-21(26)24-18-11-20(30-4)19(29-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
Homo sapiens huntingtin (HTT), mRNA (Homo sapiens (Human))	BDBM59931 (2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acet...) Show SMILES CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C23H24N2O5S/c1-5-14-9-15-7-6-13(2)8-17(15)25-22(14)31-12-21(26)24-18-11-20(30-4)19(29-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.51E+3	n/a	n/a	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/Q2N58K09
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM59931 (2-[2-(3-Ethyl-7-methyl-quinolin-2-ylsulfanyl)-acet...) Show SMILES CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(O)=O Show InChI InChI=1S/C23H24N2O5S/c1-5-14-9-15-7-6-13(2)8-17(15)25-22(14)31-12-21(26)24-18-11-20(30-4)19(29-3)10-16(18)23(27)28/h6-11H,5,12H2,1-4H3,(H,24,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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