Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50263571'   

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))	BDBM50263571 (CHEMBL4062591) Show SMILES Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15| Show InChI InChI=1S/C29H24Cl2N4O4/c30-22-13-18-3-7-24(22)38-11-1-2-12-39-25-15-19(20-5-8-26(31)33-16-20)4-6-21(25)27(36)34-23(14-18)28(37)35-29(17-32)9-10-29/h1-8,13,15-16,23H,9-12,14H2,(H,34,36)(H,35,37)/b2-1+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
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