BDBM314965 (3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((5-(trifluoromethyl)pyridin-2-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US10183953, Example 144::US9611277, Example 144

SMILES: Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1

InChI Key: InChIKey=BXGAQSCKCCBJHO-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 314965   

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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10%...				US Patent US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia 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 CHO cells stably transfected with the human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12, 10% FBS, 1×...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	133	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314965 ((3-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(C(=O)N2CC3CC(Nc4ccc(cn4)C(F)(F)F)C2C3)c1-n1nccn1 |TLB:13:12:8.9:25,6:8:12.11:25| Show InChI InChI=1S/C21H18F4N6O/c22-15-3-1-2-14(19(15)31-27-6-7-28-31)20(32)30-11-12-8-16(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,16-17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description PFSK-1 cells endogenously expressing the human orexin 2 receptor were grown to confluency in RPMI1640 (Hyclone, cat #30027.02), 10% FBS, 1× pen-strep...				US Patent US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair