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SMILES: Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F

InChI Key: InChIKey=GXJCYIJGXFIRTG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 314996   

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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	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))	BDBM314996 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,6R)-6-((3...) Show SMILES Fc1cc(cnc1NC1CC2CC1N(C2)C(=O)c1ccccc1-n1nccn1)C(F)(F)F |TLB:15:13:8.9:11,THB:7:8:13.14:11| Show InChI InChI=1S/C21H18F4N6O/c22-15-9-13(21(23,24)25)10-26-19(15)29-16-7-12-8-18(16)30(11-12)20(32)14-3-1-2-4-17(14)31-27-5-6-28-31/h1-6,9-10,12,16,18H,7-8,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	200	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