BDBM50329493 5-Isoxazoyl-Cha-Ile-(piperidin-4-yl)-(4-[aminomethyl]piperidin-1-yl)methanone::CHEMBL1269138

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC(C1)C(=O)N1CCC(CN)CC1

InChI Key: InChIKey=AMNLTFLUWVERKC-LNCZRNRQSA-N

Data: 1 EC50

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 = 50329493   

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
Proteinase-activated receptor 2 (Homo sapiens (Human))	BDBM50329493 (5-Isoxazoyl-Cha-Ile-(piperidin-4-yl)-(4-[aminometh...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCCC(C1)C(=O)N1CCC(CN)CC1 |r| Show InChI InChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-15-7-10-24(20-37)30(40)36-16-12-23(19-32)13-17-36)35-28(38)25(18-22-8-5-4-6-9-22)34-29(39)26-11-14-33-42-26/h11,14,21-25,27H,3-10,12-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24?,25-,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.71E+4	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Agonist activity at PAR2 receptor in human HT-29 cells assessed as induction of intracellular calcium release				J Med Chem 53: 7428-40 (2010) Article DOI: 10.1021/jm100984y BindingDB Entry DOI: 10.7270/Q2W959F7
					More data for this Ligand-Target Pair