null

SMILES: CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC[C@H]1CO

InChI Key: InChIKey=YUERFHADRHAZBK-QFIPXVFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50401081   

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
Substance-P receptor (Homo sapiens (Human))	BDBM50401081 (CHEMBL2203705) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O2/c1-17-10-21(31)7-8-23(17)24-14-26(40-9-5-6-22(40)16-41)38-15-25(24)39(4)27(42)28(2,3)18-11-19(29(32,33)34)13-20(12-18)30(35,36)37/h7-8,10-15,22,41H,5-6,9,16H2,1-4H3/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair
Neuromedin-K receptor (Homo sapiens (Human))	BDBM50401081 (CHEMBL2203705) Show SMILES CN(C(=O)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cnc(cc1-c1ccc(F)cc1C)N1CCC[C@H]1CO |r| Show InChI InChI=1S/C30H30F7N3O2/c1-17-10-21(31)7-8-23(17)24-14-26(40-9-5-6-22(40)16-41)38-15-25(24)39(4)27(42)28(2,3)18-11-19(29(32,33)34)13-20(12-18)30(35,36)37/h7-8,10-15,22,41H,5-6,9,16H2,1-4H3/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche AG Curated by ChEMBL					Assay Description Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cells				J Med Chem 55: 5061-76 (2012) Article DOI: 10.1021/jm2017072 BindingDB Entry DOI: 10.7270/Q2959JP4
					More data for this Ligand-Target Pair