Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314967'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM314967 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1 |TLB:14:13:9.10:26,7:9:13.12:26| Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,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 (Homo sapiens (Human))	BDBM314967 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1 |TLB:14:13:9.10:26,7:9:13.12:26| Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,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 (Rattus norvegicus (Rat))	BDBM314967 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1 |TLB:14:13:9.10:26,7:9:13.12:26| Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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))	BDBM314967 ((2-fluoro-6-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES Fc1cccc(c1C(=O)N1CC2CC(Nc3ccc(cn3)C(F)(F)F)C1C2)-n1nccn1 |TLB:14:13:9.10:26,7:9:13.12:26| Show InChI InChI=1S/C21H18F4N6O/c22-14-2-1-3-16(31-27-6-7-28-31)19(14)20(32)30-11-12-8-15(17(30)9-12)29-18-5-4-13(10-26-18)21(23,24)25/h1-7,10,12,15,17H,8-9,11H2,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	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