BDBM50476228 CHEMBL224532

SMILES: CC(=O)N[C@@H](CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)CO

InChI Key: InChIKey=PHPUGSOCPQGURG-WEOWHECGSA-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 = 50476228   

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
Neurokinin 2 receptor (Homo sapiens (Human))	BDBM50476228 (CHEMBL224532) Show SMILES CC(=O)N[C@@H](CN[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)CNC1=O)[C@@H](O)[C@H](O)[C@H](O)CO |r| Show InChI InChI=1S/C41H51N7O9/c1-24(50)45-34(37(53)38(54)35(51)23-49)22-43-31-19-36(52)47-33(18-27-20-42-30-15-9-8-14-29(27)30)41(57)48-32(17-26-12-6-3-7-13-26)40(56)46-28(21-44-39(31)55)16-25-10-4-2-5-11-25/h2-15,20,28,31-35,37-38,42-43,49,51,53-54H,16-19,21-23H2,1H3,(H,44,55)(H,45,50)(H,46,56)(H,47,52)(H,48,57)/t28-,31-,32+,33+,34+,35-,37-,38-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche S.p.A. Curated by ChEMBL					Assay Description Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells				J Med Chem 47: 6935-47 (2004) Article DOI: 10.1021/jm040832y BindingDB Entry DOI: 10.7270/Q2T43WVJ
					More data for this Ligand-Target Pair