BDBM50357169 CHEMBL1917866

SMILES: COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCCNC(C)=O)-n1nnnc1C(F)(F)F

InChI Key: InChIKey=XLJBLGBRVMYMNE-GOTSBHOMSA-N

Data: 1 IC50

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 = 50357169   

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))	BDBM50357169 (CHEMBL1917866) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCCNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C27H32F3N7O3/c1-18(38)31-13-6-9-25(39)36-14-12-23(22(17-36)19-7-4-3-5-8-19)32-16-20-15-21(10-11-24(20)40-2)37-26(27(28,29)30)33-34-35-37/h3-5,7-8,10-11,15,22-23,32H,6,9,12-14,16-17H2,1-2H3,(H,31,38)/t22-,23-/m0/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	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]BH-SP from NK1 receptor in human IM9 cells after 30 mins by scintillation counting				Bioorg Med Chem 19: 6430-46 (2011) Article DOI: 10.1016/j.bmc.2011.08.070 BindingDB Entry DOI: 10.7270/Q228081R
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