Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM314976'   

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))	BDBM314976 ((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3	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))	BDBM314976 ((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3	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))	BDBM314976 ((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3	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/Hypocretin receptor type 1 (Rattus norvegicus (Rat))	BDBM314976 ((5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl)((1S,4S,...) Show SMILES CN(C1CC2CC1N(C2)C(=O)c1cc(F)ccc1-n1nccn1)c1ccc(cn1)C(F)(F)F |TLB:9:7:2.3:5,THB:1:2:7.8:5| Show InChI InChI=1S/C22H20F4N6O/c1-30(20-5-2-14(11-27-20)22(24,25)26)18-8-13-9-19(18)31(12-13)21(33)16-10-15(23)3-4-17(16)32-28-6-7-29-32/h2-7,10-11,13,18-19H,8-9,12H2,1H3	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