null

SMILES: CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F

InChI Key: InChIKey=DTGKMEOSLSJFKU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 314974   

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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	342	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))	BDBM314974 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-(me...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H21F3N6O/c1-29(20-7-6-15(12-26-20)22(23,24)25)18-10-14-11-19(18)30(13-14)21(32)16-4-2-3-5-17(16)31-27-8-9-28-31/h2-9,12,14,18-19H,10-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	342	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