Compile Data Set for Download or QSAR
Found 4 Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM164140'
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164140(BDBM255252 | US9062078, 270 | US9637496, 270 | US9...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2nccn3c(Br)cnc23)c1-c1ncccn1
Show InChI InChI=1S/C23H19BrFN7O/c24-18-12-29-22-21(28-9-10-31(18)22)30-16-11-13-5-6-17(16)32(13)23(33)14-3-1-4-15(25)19(14)20-26-7-2-8-27-20/h1-4,7-10,12-13,16-17H,5-6,11H2,(H,28,30)
Affinity DataKi:  145nM ΔG°:  -41.0kJ/moleT: 2°CAssay Description:HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM001526) were grown to confluency in DMEM (Hyclone, cat #SH30022), 10% F...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164140(BDBM255252 | US9062078, 270 | US9637496, 270 | US9...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2nccn3c(Br)cnc23)c1-c1ncccn1
Show InChI InChI=1S/C23H19BrFN7O/c24-18-12-29-22-21(28-9-10-31(18)22)30-16-11-13-5-6-17(16)32(13)23(33)14-3-1-4-15(25)19(14)20-26-7-2-8-27-20/h1-4,7-10,12-13,16-17H,5-6,11H2,(H,28,30)
Affinity DataKi:  145nMAssay 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
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164140(BDBM255252 | US9062078, 270 | US9637496, 270 | US9...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2nccn3c(Br)cnc23)c1-c1ncccn1
Show InChI InChI=1S/C23H19BrFN7O/c24-18-12-29-22-21(28-9-10-31(18)22)30-16-11-13-5-6-17(16)32(13)23(33)14-3-1-4-15(25)19(14)20-26-7-2-8-27-20/h1-4,7-10,12-13,16-17H,5-6,11H2,(H,28,30)
Affinity DataKi:  145nM ΔG°:  -41.0kJ/moleT: 2°CAssay 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
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164140(BDBM255252 | US9062078, 270 | US9637496, 270 | US9...)
Show SMILES Fc1cccc(C(=O)N2C3CCC2C(C3)Nc2nccn3c(Br)cnc23)c1-c1ncccn1
Show InChI InChI=1S/C23H19BrFN7O/c24-18-12-29-22-21(28-9-10-31(18)22)30-16-11-13-5-6-17(16)32(13)23(33)14-3-1-4-15(25)19(14)20-26-7-2-8-27-20/h1-4,7-10,12-13,16-17H,5-6,11H2,(H,28,30)
Affinity DataKi:  145nM ΔG°:  -41.0kJ/moleT: 2°CAssay 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
Ligand InfoPC cidPC sid