BDBM50178271 (2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino)-1-phenyl-8-aza-bicyclo[3.2.1]octan-6-yl)methanol::CHEMBL202417

SMILES: OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1

InChI Key: InChIKey=PLOFBQMQAHOQHM-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50178271   

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))	BDBM50178271 ((2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino...) Show SMILES OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-20-8-10-22(32-19-6-7-19)16(12-20)14-29-23-11-9-21-17(15-31)13-24(23,30-21)18-4-2-1-3-5-18/h1-5,8,10,12,17,19,21,23,29-31H,6-7,9,11,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	270	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))	BDBM50178271 ((2-(2-cyclopropoxy-5-(trifluoromethoxy)benzylamino...) Show SMILES OCC1CC2(NC1CCC2NCc1cc(OC(F)(F)F)ccc1OC1CC1)c1ccccc1 Show InChI InChI=1S/C25H29F3N2O3/c26-25(27,28)33-20-8-10-22(32-19-6-7-19)16(12-20)14-29-23-11-9-21-17(15-31)13-24(23,30-21)18-4-2-1-3-5-18/h1-5,8,10,12,17,19,21,23,29-31H,6-7,9,11,13-15H2	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	0.110	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