BDBM314500 ((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl)pyridin-2-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)(3-(pyrimidin-2-yl)pyridin-2-yl)methanone::US9611262, Example 62

SMILES: CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1

InChI Key: InChIKey=UFKGHMRWOSNNNS-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 = 314500   

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))	BDBM314500 (((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C23H21F3N6O/c1-13-14-10-17(31-19-6-5-15(12-30-19)23(24,25)26)18(11-14)32(13)22(33)20-16(4-2-7-27-20)21-28-8-3-9-29-21/h2-9,12-14,17-18H,10-11H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 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))	BDBM314500 (((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C23H21F3N6O/c1-13-14-10-17(31-19-6-5-15(12-30-19)23(24,25)26)18(11-14)32(13)22(33)20-16(4-2-7-27-20)21-28-8-3-9-29-21/h2-9,12-14,17-18H,10-11H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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))	BDBM314500 (((1S*,3R*,4S*,6R*)-3-methyl-6-((5-(trifluoromethyl...) Show SMILES CC1C2CC(Nc3ccc(cn3)C(F)(F)F)C(C2)N1C(=O)c1ncccc1-c1ncccn1 |TLB:19:18:4.3:17,THB:5:4:18.1:17,0:1:4.3:17| Show InChI InChI=1S/C23H21F3N6O/c1-13-14-10-17(31-19-6-5-15(12-30-19)23(24,25)26)18(11-14)32(13)22(33)20-16(4-2-7-27-20)21-28-8-3-9-29-21/h2-9,12-14,17-18H,10-11H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	360	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