BDBM50185062 (3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6-(4-fluorophenyl)-3-methylazepan-2-one::CHEMBL209456

SMILES: C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=BWYOFBHDLKEMKX-RDPGKOORSA-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 = 50185062   

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))	BDBM50185062 ((3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-12-7-20(19(11-31-21(12)32)14-3-5-18(24)6-4-14)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h3-6,8-10,12-13,19-20H,7,11H2,1-2H3,(H,31,32)/t12-,13-,19-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of labeled MK-499 from cloned hERG channel expressed in HEK cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50185062 ((3R,5S,6S)-5-((R)-1-(3,5-bis(trifluoromethyl)pheny...) Show SMILES C[C@@H](O[C@H]1C[C@@H](C)C(=O)NC[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H22F7NO2/c1-12-7-20(19(11-31-21(12)32)14-3-5-18(24)6-4-14)33-13(2)15-8-16(22(25,26)27)10-17(9-15)23(28,29)30/h3-6,8-10,12-13,19-20H,7,11H2,1-2H3,(H,31,32)/t12-,13-,19-,20+/m1/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	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I] labeled substance P from human cloned NK1 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 2929-32 (2006) Article DOI: 10.1016/j.bmcl.2006.02.080 BindingDB Entry DOI: 10.7270/Q2VX0G3T
					More data for this Ligand-Target Pair