BDBM50002959 CHEMBL400209

SMILES: CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(C)C

InChI Key: InChIKey=SSKNMQIMSPFPDK-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 = 50002959   

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))	BDBM50002959 (CHEMBL400209) Show SMILES CC(C)N(CCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1)C(C)C Show InChI InChI=1S/C33H44N4O3S/c1-23(2)37(24(3)4)20-19-34-30(38)27(21-25-13-7-5-8-14-25)35-32(40)33(17-11-6-12-18-33)36-31(39)29-22-26-15-9-10-16-28(26)41-29/h5,7-10,13-16,22-24,27H,6,11-12,17-21H2,1-4H3,(H,34,38)(H,35,40)(H,36,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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