BDBM50116261 (2S,5S)-5-((R)-3-Methyl-2-pyridin-2-yl-butyrylamino)-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-hi]indole-2-carboxylic acid (1H-[1,2,3]triazol-4-ylmethyl)-amide::CHEMBL304727

SMILES: CC(C)[C@@H](C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cnn[nH]1)c1ccccn1

InChI Key: InChIKey=BTLKDBNKGRJVJE-FDFHNCONSA-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 = 50116261   

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
Granzyme B (Homo sapiens (Human))	BDBM50116261 ((2S,5S)-5-((R)-3-Methyl-2-pyridin-2-yl-butyrylamin...) Show SMILES CC(C)[C@@H](C(=O)N[C@H]1CCc2cccc3C[C@H](N(c23)C1=O)C(=O)NCc1cnn[nH]1)c1ccccn1 Show InChI InChI=1S/C26H29N7O3/c1-15(2)22(19-8-3-4-11-27-19)25(35)30-20-10-9-16-6-5-7-17-12-21(33(23(16)17)26(20)36)24(34)28-13-18-14-29-32-31-18/h3-8,11,14-15,20-22H,9-10,12-13H2,1-2H3,(H,28,34)(H,30,35)(H,29,31,32)/t20-,21-,22+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition against human granzyme B				Bioorg Med Chem Lett 12: 2197-200 (2002) BindingDB Entry DOI: 10.7270/Q2WH2P9X
					More data for this Ligand-Target Pair