BDBM50002954 CHEMBL235353

SMILES: CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1

InChI Key: InChIKey=VAIWDACCTULQEF-AREMUKBSSA-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 = 50002954   

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))	BDBM50002954 (CHEMBL235353) Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C32H41N5O3S/c1-36-18-20-37(21-19-36)17-9-16-33-29(38)26(22-24-10-3-2-4-11-24)34-31(40)32(14-7-8-15-32)35-30(39)28-23-25-12-5-6-13-27(25)41-28/h2-6,10-13,23,26H,7-9,14-22H2,1H3,(H,33,38)(H,34,40)(H,35,39)/t26-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Menarini Ricerche SpA Curated by ChEMBL					Assay Description Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells				Bioorg Med Chem Lett 17: 4841-4 (2007) Checked by Author Article DOI: 10.1016/j.bmcl.2007.06.053 BindingDB Entry DOI: 10.7270/Q22F7PXR
					More data for this Ligand-Target Pair