BDBM50217309 CHEMBL111451

SMILES: CN(C)C(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(=N)N(C)C)cc1

InChI Key: InChIKey=ZQDOVZDBJVFYDA-UHFFFAOYSA-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 = 50217309   

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
Tryptase (Homo sapiens (Human))	BDBM50217309 (CHEMBL111451) Show SMILES CN(C)C(=N)c1ccc2oc(cc2c1)C(=O)N1CCN(CC1)C(=O)COc1ccc(OCC(=O)N2CCN(CC2)C(=O)c2cc3cc(ccc3o2)C(=N)N(C)C)cc1 Show InChI InChI=1S/C42H46N8O8/c1-45(2)39(43)27-5-11-33-29(21-27)23-35(57-33)41(53)49-17-13-47(14-18-49)37(51)25-55-31-7-9-32(10-8-31)56-26-38(52)48-15-19-50(20-16-48)42(54)36-24-30-22-28(40(44)46(3)4)6-12-34(30)58-36/h5-12,21-24,43-44H,13-20,25-26H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yoshitomi Pharmaceutical Industries, LTD. Curated by ChEMBL					Assay Description Inhibition of tryptase activity				Bioorg Med Chem Lett 9: 3285-90 (2000) BindingDB Entry DOI: 10.7270/Q2TX3DK3
					More data for this Ligand-Target Pair