BDBM50003004 CHEMBL235431

SMILES: CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1

InChI Key: InChIKey=YOLJRQHQYDNGJH-HHHXNRCGSA-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 = 50003004   

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))	BDBM50003004 (CHEMBL235431) Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCCCC2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C33H43N5O3S/c1-37-19-21-38(22-20-37)18-10-17-34-30(39)27(23-25-11-4-2-5-12-25)35-32(41)33(15-8-3-9-16-33)36-31(40)29-24-26-13-6-7-14-28(26)42-29/h2,4-7,11-14,24,27H,3,8-10,15-23H2,1H3,(H,34,39)(H,35,41)(H,36,40)/t27-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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