BDBM50410800 CHEMBL204691

SMILES: CNCCO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=BLRGEKISNDSGSY-XIDPYBFFSA-N

Data: 1 Kd

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 = 50410800   

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 1 receptor (Homo sapiens (Human))	BDBM50410800 (CHEMBL204691) Show SMILES CNCCO\N=C(\C)CN1CCN([C@H](Cc2c[nH]c3ccccc23)C1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H31F6N5O2/c1-18(37-41-10-7-35-2)16-38-8-9-39(23(17-38)13-20-15-36-25-6-4-3-5-24(20)25)26(40)19-11-21(27(29,30)31)14-22(12-19)28(32,33)34/h3-6,11-12,14-15,23,35-36H,7-10,13,16-17H2,1-2H3/b37-18-/t23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1045-8 (2006) Article DOI: 10.1016/j.bmcl.2005.10.077 BindingDB Entry DOI: 10.7270/Q2XD12W0
					More data for this Ligand-Target Pair