BDBM50000223 CHEMBL138335

SMILES: FC(F)(F)c1cc(COCC(N2CCN(Cc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F

InChI Key: InChIKey=QUARZWNHDPZJSZ-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 = 50000223   

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))	BDBM50000223 (CHEMBL138335) Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H24F6N6O/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-36-15-20(17-4-2-1-3-5-17)35-8-6-34(7-9-35)13-21-30-32-33-31-21/h1-5,10-12,20H,6-9,13-15H2,(H,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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