Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Procathepsin L' and Ligand = 'BDBM50369401'   

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))	BDBM50369401 (CHEMBL1790992) Show SMILES CC[C@@H](C)[C@H](NC(=O)NC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O Show InChI InChI=1S/C21H30N4O3/c1-5-14(4)19(25-21(28)23-13(2)3)20(27)24-16(12-26)10-15-11-22-18-9-7-6-8-17(15)18/h6-9,11-14,16,19,22H,5,10H2,1-4H3,(H,24,27)(H2,23,25,28)/t14-,16-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of human cathepsin L.				J Med Chem 41: 4301-8 (1998) Article DOI: 10.1021/jm9803065 BindingDB Entry DOI: 10.7270/Q2VQ33CX
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