BDBM50002963 CHEMBL237517

SMILES: CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1

InChI Key: InChIKey=YCMNXNTUMHDKAF-UHFFFAOYSA-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 = 50002963   

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))	BDBM50002963 (CHEMBL237517) Show SMILES CN1CCCC1CCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C33H42N4O3S/c1-37-21-11-16-26(37)15-10-20-34-30(38)27(22-24-12-4-2-5-13-24)35-32(40)33(18-8-3-9-19-33)36-31(39)29-23-25-14-6-7-17-28(25)41-29/h2,4-7,12-14,17,23,26-27H,3,8-11,15-16,18-22H2,1H3,(H,34,38)(H,35,40)(H,36,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	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