BDBM50357168 CHEMBL1917865

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

InChI Key: InChIKey=RUMVZUFKTZXZHP-VXKWHMMOSA-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 = 50357168   

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))	BDBM50357168 (CHEMBL1917865) Show SMILES COc1ccc(cc1CN[C@H]1CCN(C[C@H]1c1ccccc1)C(=O)CCNC(C)=O)-n1nnnc1C(F)(F)F |r| Show InChI InChI=1S/C26H30F3N7O3/c1-17(37)30-12-10-24(38)35-13-11-22(21(16-35)18-6-4-3-5-7-18)31-15-19-14-20(8-9-23(19)39-2)36-25(26(27,28)29)32-33-34-36/h3-9,14,21-22,31H,10-13,15-16H2,1-2H3,(H,30,37)/t21-,22-/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	0.0540	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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