BDBM50098837 2-(3H-Imidazole-4-carbonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid [1-(5-tert-butyl-[1,3,4]oxadiazole-2-carbonyl)-2-methyl-propyl]-amide; hydrochloride::CHEMBL556386

SMILES: CC(C)[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)c1cnc[nH]1)C(=O)c1nnc(o1)C(C)(C)C

InChI Key: InChIKey=ZXJOORMPCRZDRS-GGYWPGCISA-N

Data: 1 KI

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 1 hit for monomerid = 50098837   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50098837 (2-(3H-Imidazole-4-carbonyl)-1,2,3,4-tetrahydro-iso...) Show SMILES CC(C)[C@H](NC(=O)C1Cc2ccccc2CN1C(=O)c1cnc[nH]1)C(=O)c1nnc(o1)C(C)(C)C Show InChI InChI=1S/C25H30N6O4/c1-14(2)19(20(32)22-29-30-24(35-22)25(3,4)5)28-21(33)18-10-15-8-6-7-9-16(15)12-31(18)23(34)17-11-26-13-27-17/h6-9,11,13-14,18-19H,10,12H2,1-5H3,(H,26,27)(H,28,33)/t18?,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cortech, Inc. Curated by ChEMBL					Assay Description Binding constant derived from inhibition of elastase catalyzed hydrolysis of synthetic substrate				J Med Chem 44: 1268-85 (2001) BindingDB Entry DOI: 10.7270/Q2B858VW
					More data for this Ligand-Target Pair