BDBM314681 (R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]-3-azabicyclo[2.2.1]heptan-3-yl]-[2-(triazol-2-yl)phenyl]methanone::US9611262, Example 213

SMILES: CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=ANGJUQYZBGLNMK-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 = 314681   

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 (Homo sapiens (Human))	BDBM314681 ((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...) Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18| Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	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 1 (OX1) (Rattus norvegicus (Rat))	BDBM314681 ((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...) Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18| Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	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 2 (Homo sapiens (Human))	BDBM314681 ((R/S)-[2-ethyl-5-[[5-(trifluoromethyl)-2-pyridyl]o...) Show SMILES CCC1C2CC(Oc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:20:19:5.4:18,THB:6:5:19.2:18,1:2:5.4:18| Show InChI InChI=1S/C23H22F3N5O2/c1-2-17-14-11-19(20(12-14)33-21-8-7-15(13-27-21)23(24,25)26)30(17)22(32)16-5-3-4-6-18(16)31-28-9-10-29-31/h3-10,13-14,17,19-20H,2,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	208	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