Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM41159'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Procathepsin L (Homo sapiens (Human))	BDBM41159 (MLS000046447 | N-(3-azepan-1-ylpropyl)-3-[3-(4-chl...) Show SMILES Clc1ccc(cc1)-c1ccc(=O)n(CCC(=O)NCCCN2CCCCCC2)n1 Show InChI InChI=1S/C22H29ClN4O2/c23-19-8-6-18(7-9-19)20-10-11-22(29)27(25-20)17-12-21(28)24-13-5-16-26-14-3-1-2-4-15-26/h6-11H,1-5,12-17H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	733	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q27D2SJC
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM41159 (MLS000046447 | N-(3-azepan-1-ylpropyl)-3-[3-(4-chl...) Show SMILES Clc1ccc(cc1)-c1ccc(=O)n(CCC(=O)NCCCN2CCCCCC2)n1 Show InChI InChI=1S/C22H29ClN4O2/c23-19-8-6-18(7-9-19)20-10-11-22(29)27(25-20)17-12-21(28)24-13-5-16-26-14-3-1-2-4-15-26/h6-11H,1-5,12-17H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
PCMD Curated by PubChem BioAssay					Assay Description Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2WH2NDV
					More data for this Ligand-Target Pair