BDBM50329494 5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethyl]piperidin-1-yl)methanone::CHEMBL1269139

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1cccc(c1)C(=O)N1CCC(CN)CC1

InChI Key: InChIKey=JNVWQTNIDLAFGO-PTJQVGQKSA-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 = 50329494   

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))	BDBM50329494 (5-isoxazoyl-Cha-Ile-(3-aminophenyl)-(4-[aminomethy...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)Nc1cccc(c1)C(=O)N1CCC(CN)CC1 |r| Show InChI InChI=1S/C32H46N6O5/c1-3-21(2)28(31(41)35-25-11-7-10-24(19-25)32(42)38-16-13-23(20-33)14-17-38)37-29(39)26(18-22-8-5-4-6-9-22)36-30(40)27-12-15-34-43-27/h7,10-12,15,19,21-23,26,28H,3-6,8-9,13-14,16-18,20,33H2,1-2H3,(H,35,41)(H,36,40)(H,37,39)/t21-,26-,28-/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	2.00E+3	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