BDBM50000247 CHEMBL136389

SMILES: CCOC(=O)N1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1

InChI Key: InChIKey=IMMRQJKFAMQIFK-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 = 50000247   

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))	BDBM50000247 (CHEMBL136389) Show SMILES CCOC(=O)N1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C24H26F6N2O3/c1-2-35-22(33)32-10-8-31(9-11-32)21(18-6-4-3-5-7-18)16-34-15-17-12-19(23(25,26)27)14-20(13-17)24(28,29)30/h3-7,12-14,21H,2,8-11,15-16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UCB Pharma Curated by ChEMBL					Assay Description Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 13: 437-42 (2003) Checked by Author BindingDB Entry DOI: 10.7270/Q2MC91J0
					More data for this Ligand-Target Pair