BDBM314629 US9611262, Example 163::[(1R,2R,4S,5R)-2-deuterio-2-(trideuteriomethyl)-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]-3-azabicyclo[2.2.1]heptan-3-yl]-[2-(triazol-2-yl)phenyl]methanone

SMILES: CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1

InChI Key: InChIKey=PHGTWIIINUNQFJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 314629   

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))	BDBM314629 (US9611262, Example 163 | [(1R,2R,4S,5R)-2-deuterio...) Show SMILES CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C22H23N5O2/c1-14-7-8-21(23-13-14)29-20-12-16-11-19(20)26(15(16)2)22(28)17-5-3-4-6-18(17)27-24-9-10-25-27/h3-10,13,15-16,19-20H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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))	BDBM314629 (US9611262, Example 163 | [(1R,2R,4S,5R)-2-deuterio...) Show SMILES CC1C2CC(Oc3ccc(C)cn3)C(C2)N1C(=O)c1ccccc1-n1nccn1 |TLB:16:15:4.3:14,THB:5:4:15.1:14,0:1:4.3:14| Show InChI InChI=1S/C22H23N5O2/c1-14-7-8-21(23-13-14)29-20-12-16-11-19(20)26(15(16)2)22(28)17-5-3-4-6-18(17)27-24-9-10-25-27/h3-10,13,15-16,19-20H,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	398	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