BDBM118186 US8653125, Ic-11

SMILES: C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(ccc2C#N)C(F)(F)F)cc1

InChI Key: InChIKey=XFBXWXXATGSMIO-KSNQQSQUSA-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 = 118186   

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
Neuropeptide Y receptor type 5 (NPY Y5) (Mus musculus (Mouse))	BDBM118186 (US8653125, Ic-11) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)Oc2cc(ccc2C#N)C(F)(F)F)cc1 |r,wU:18.22,15.15,1.0,5.5,(7.44,-6.16,;7.44,-4.62,;6.1,-3.85,;6.1,-2.31,;7.44,-1.54,;8.77,-2.31,;10.11,-1.54,;8.77,-3.85,;4.77,-1.54,;3.44,-2.31,;2.1,-1.54,;2.1,,;.77,.77,;-.56,,;-.56,-1.54,;-1.9,.77,;-1.9,2.31,;-3.23,3.08,;-4.56,2.31,;-4.56,.77,;-3.23,,;-5.9,3.08,;-7.23,2.31,;-7.23,.77,;-8.57,,;-9.9,.77,;-9.9,2.31,;-8.57,3.08,;-8.57,4.62,;-8.57,6.16,;-8.57,-1.54,;-8.57,-3.08,;-10.11,-1.54,;-7.03,-1.54,;3.44,.77,;4.77,,)| Show InChI InChI=1S/C27H30F3N3O3/c1-17-15-33(16-18(2)35-17)23-9-7-22(8-10-23)32-26(34)19-4-11-24(12-5-19)36-25-13-21(27(28,29)30)6-3-20(25)14-31/h3,6-10,13,17-19,24H,4-5,11-12,15-16H2,1-2H3,(H,32,34)/t17-,18+,19-,24+	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.4	25
Shionogi Co., Ltd. US Patent					Assay Description cDNA sequence encoding mouse NPY Y5 receptor (Biochem. Biophys. Acta 1328: 83-89, 1997) was cloned in the expression vector (pME18S, Takebe et al. Mo...				US Patent US8653125 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31BN
					More data for this Ligand-Target Pair