BDBM164112 US9062078, 242::US9475819, 242::US9637496, 242::US9695183, 242

SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1

InChI Key InChIKey=BFRKOXFSGJNCQG-UHFFFAOYSA-N

Data  12 KI

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 164112   

TargetOrexin/Hypocretin receptor type 1(Rattus norvegicus (Rat))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  31nM ΔG°:  -9.52kcal/moleT: 2°CAssay 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
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  31nMAssay 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
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  31nM ΔG°:  -9.52kcal/moleT: 2°CAssay 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
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  31nM ΔG°:  -10.8kcal/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
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  41nMAssay 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(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  41nM ΔG°:  -9.36kcal/moleT: 2°CAssay 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(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  41nM ΔG°:  -9.36kcal/moleT: 2°CAssay 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(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  41nM ΔG°:  -9.36kcal/moleT: 2°CAssay Description:Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM001525) or Chinese ovary cells (CHO) s...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  239nM ΔG°:  -9.48kcal/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
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  239nMAssay 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 receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  239nM ΔG°:  -9.48kcal/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
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM164112(US9062078, 242 | US9475819, 242 | US9637496, 242 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(C2)Nc1cnc(cn1)C(F)(F)F)-n1nccn1
Show InChI InChI=1S/C21H20F3N7O2/c1-33-16-4-2-3-15(31-27-7-8-28-31)19(16)20(32)30-12-5-6-14(30)13(9-12)29-18-11-25-17(10-26-18)21(22,23)24/h2-4,7-8,10-14H,5-6,9H2,1H3,(H,26,29)
Affinity DataKi:  239nM ΔG°:  -9.48kcal/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