BDBM50476242 CHEMBL375213

SMILES: CC(=O)N[C@H]1[C@H](NC(=O)CCC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=LPZJPUVIAQOZDE-WSFTWOMWSA-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 = 50476242   

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))	BDBM50476242 (CHEMBL375213) Show SMILES CC(=O)N[C@H]1[C@H](NC(=O)CCC(=O)N[C@@H]2CC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc3ccccc3)CNC2=O)O[C@H](CO)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C45H54N8O11/c1-25(55)48-39-41(60)40(59)35(24-54)64-45(39)53-37(57)17-16-36(56)50-34-21-38(58)51-33(20-28-22-46-31-15-9-8-14-30(28)31)44(63)52-32(19-27-12-6-3-7-13-27)43(62)49-29(23-47-42(34)61)18-26-10-4-2-5-11-26/h2-15,22,29,32-35,39-41,45-46,54,59-60H,16-21,23-24H2,1H3,(H,47,61)(H,48,55)(H,49,62)(H,50,56)(H,51,58)(H,52,63)(H,53,57)/t29-,32+,33+,34-,35-,39-,40-,41-,45-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	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