BDBM50271693 CHEMBL4126455

SMILES: CC(C)(C)c1cccc(c1)C(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCC#N

InChI Key: InChIKey=LGONMMAJGRFDCA-IBGZPJMESA-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 = 50271693   

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))	BDBM50271693 (CHEMBL4126455) Show SMILES CC(C)(C)c1cccc(c1)C(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)17-8-5-7-16(14-17)20(27)25-19(21(28)24-11-10-23)13-15-6-4-9-18(26)12-15/h4-9,12,14,19,26H,11,13H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins by spectroph...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair
Cathepsin L (Toxoplasma gondii)	BDBM50271693 (CHEMBL4126455) Show SMILES CC(C)(C)c1cccc(c1)C(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCC#N |r| Show InChI InChI=1S/C22H25N3O3/c1-22(2,3)17-8-5-7-16(14-17)20(27)25-19(21(28)24-11-10-23)13-15-6-4-9-18(26)12-15/h4-9,12,14,19,26H,11,13H2,1-3H3,(H,24,28)(H,25,27)/t19-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of Toxoplasma gondii cathepsin L using Z-L-R-AMC as substrate preincubated for 5 mins followed by substrate addition measured over 5 mins ...				Bioorg Med Chem Lett 28: 1972-1980 (2018) Article DOI: 10.1016/j.bmcl.2018.03.020 BindingDB Entry DOI: 10.7270/Q2445PZZ
					More data for this Ligand-Target Pair