null

SMILES: Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1

InChI Key: InChIKey=CLEHSUGXBFEAJH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 314894   

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))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	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 (Homo sapiens (Human))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	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 (Rattus norvegicus (Rat))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 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 receptor type 2 (Homo sapiens (Human))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	211	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM314894 ((6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)((...) Show SMILES Cc1ccc(c(n1)C(=O)N1CC2CCC1C(C2)Oc1ccc(cn1)C(F)(F)F)-n1nccn1 |TLB:17:15:12.13:10.9,THB:7:9:15.16:12.13| Show InChI InChI=1S/C22H21F3N6O2/c1-13-2-5-17(31-27-8-9-28-31)20(29-13)21(32)30-12-14-3-6-16(30)18(10-14)33-19-7-4-15(11-26-19)22(23,24)25/h2,4-5,7-9,11,14,16,18H,3,6,10,12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	211	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