Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calpain-1 catalytic subunit' and Ligand = 'BDBM50522671'   

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
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50522671 (CHEMBL4448533) Show SMILES FC(F)(F)Oc1cccc(c1CN1[C@H](CCC1=O)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NC1CC1)C(F)(F)F |r| Show InChI InChI=1S/C27H25F6N3O5/c28-26(29,30)18-7-4-8-21(41-27(31,32)33)17(18)14-36-20(11-12-22(36)37)24(39)35-19(13-15-5-2-1-3-6-15)23(38)25(40)34-16-9-10-16/h1-8,16,19-20H,9-14H2,(H,34,40)(H,35,39)/t19?,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Deutschland GmbH & Co. KG Curated by ChEMBL					Assay Description Inhibition of Cal1 (unknown origin)				Bioorg Med Chem Lett 29: 1968-1973 (2019) Article DOI: 10.1016/j.bmcl.2019.05.034 BindingDB Entry DOI: 10.7270/Q2ZP49H5
					More data for this Ligand-Target Pair