Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM175188'
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM175188(US9115117, 90 | US9611251, 90)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(F)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
Affinity DataKi:  19nMAssay Description:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) s...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM175188(US9115117, 90 | US9611251, 90)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(F)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
Affinity DataKi:  19nMAssay Description:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM_001525) or Chinese ovary cells (CHO) ...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Rattus norvegicus (Rat))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM175188(US9115117, 90 | US9611251, 90)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(F)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
Affinity DataKi:  20nMAssay Description:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% ...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Rattus norvegicus (Rat))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM175188(US9115117, 90 | US9611251, 90)
Show SMILES C[C@H]1[C@@H](CCCN1C(=O)c1cc(F)ccc1-n1nccn1)Nc1cnc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H19F4N7O/c1-12-15(29-18-11-25-17(10-26-18)20(22,23)24)3-2-8-30(12)19(32)14-9-13(21)4-5-16(14)31-27-6-7-28-31/h4-7,9-12,15H,2-3,8H2,1H3,(H,26,29)/t12-,15+/m0/s1
Affinity DataKi:  20nMAssay Description:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) s...More data for this Ligand-Target Pair