BDBM314639 US9611262, Example 173::[2-(6-fluoro-2-pyridyl)phenyl]-[(1R,2R,4S,5R)-2-methyl-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]-3-azabicyclo[2.2.1]heptan-3-yl]methanone

SMILES: CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1

InChI Key: InChIKey=NJOXDENSOHWWDD-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 314639   

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
Orexin receptor type 1 (OX1) (Rattus norvegicus (Rat))	BDBM314639 (US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM314639 (US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314639 (US9611262, Example 173 | [2-(6-fluoro-2-pyridyl)ph...) Show SMILES CC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-c1cccc(F)n1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C25H21F4N3O2/c1-14-15-11-20(21(12-15)34-23-10-9-16(13-30-23)25(27,28)29)32(14)24(33)18-6-3-2-5-17(18)19-7-4-8-22(26)31-19/h2-10,13-15,20-21H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...				US Patent US9611262 (2017) BindingDB Entry DOI: 10.7270/Q2WS8WBW
					More data for this Ligand-Target Pair