null

SMILES: Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=XVOFQVYYIGNDLB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50178265   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50178265 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)...) Show SMILES Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31F4N3O5S/c32-21-8-6-20(7-9-21)30-17-25(29(39)38-44(40,41)24-4-2-1-3-5-24)26(37-30)13-15-28(30)36-18-19-16-23(43-31(33,34)35)12-14-27(19)42-22-10-11-22/h1-9,12,14,16,22,25-26,28,36-37H,10-11,13,15,17-18H2,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]-labelled MK499 from cloned hERG potassium channel expressed in HEK cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50178265 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)...) Show SMILES Fc1ccc(cc1)C12CC(C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2)C(=O)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C31H31F4N3O5S/c32-21-8-6-20(7-9-21)30-17-25(29(39)38-44(40,41)24-4-2-1-3-5-24)26(37-30)13-15-28(30)36-18-19-16-23(43-31(33,34)35)12-14-27(19)42-22-10-11-22/h1-9,12,14,16,22,25-26,28,36-37H,10-11,13,15,17-18H2,(H,38,39)	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	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]-labelled substance P from cloned human NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 811-4 (2006) Article DOI: 10.1016/j.bmcl.2005.11.026 BindingDB Entry DOI: 10.7270/Q2JW8DGT
					More data for this Ligand-Target Pair