BDBM314979 (5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(methyl(5-(trifluoromethyl)pyridin-2-yl)amino)-2-azabicyclo[2.2.1]heptan-2-yl)methanone::US10183953, Example 158::US9611277, Example 158

SMILES: CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=XEYYOUAXMDVMSH-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 = 314979   

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))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	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 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))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	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 US10183953 (2019) BindingDB Entry DOI: 10.7270/Q2Z60R5Q
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	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 US9611277 (2017) BindingDB Entry DOI: 10.7270/Q24B33D2
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	340	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))	BDBM314979 ((5-fluoro-2-(pyrimidin-2-yl)phenyl)((1S,4S,6R)-6-(...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-c1ncccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C24H21F4N5O/c1-32(21-6-3-15(12-31-21)24(26,27)28)19-9-14-10-20(19)33(13-14)23(34)18-11-16(25)4-5-17(18)22-29-7-2-8-30-22/h2-8,11-12,14,19-20H,9-10,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	340	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