BDBM59953 4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl)-acetylamino]-benzoic acid::4,5-dimethoxy-2-[2-(3-methylquinolin-2-yl)sulfanylethanoylamino]benzoic acid::4,5-dimethoxy-2-[[2-(3-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid::4,5-dimethoxy-2-[[2-[(3-methyl-2-quinolyl)thio]acetyl]amino]benzoic acid::MLS000553746::SMR000170936::cid_1153239

SMILES: COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O

InChI Key: InChIKey=DDPQVHBCDXRRBG-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 = 59953   

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))	BDBM59953 (4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl...) Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O Show InChI InChI=1S/C21H20N2O5S/c1-12-8-13-6-4-5-7-15(13)23-20(12)29-11-19(24)22-16-10-18(28-3)17(27-2)9-14(16)21(25)26/h4-10H,11H2,1-3H3,(H,22,24)(H,25,26)	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)	BDBM59953 (4,5-Dimethoxy-2-[2-(3-methyl-quinolin-2-ylsulfanyl...) Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3cc2C)c(cc1OC)C(O)=O Show InChI InChI=1S/C21H20N2O5S/c1-12-8-13-6-4-5-7-15(13)23-20(12)29-11-19(24)22-16-10-18(28-3)17(27-2)9-14(16)21(25)26/h4-10H,11H2,1-3H3,(H,22,24)(H,25,26)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.57E+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