BDBM163957 US9062078, 88::US9475819, 88::US9637496, 88::US9695183, 88

SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2

InChI Key InChIKey=GAQMSECBJOFMLH-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 = 163957   

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

US Patent
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  47nM ΔG°:  -9.29kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  47nM ΔG°:  -9.29kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  47nM ΔG°:  -10.5kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  49nMAssay 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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  49nM ΔG°:  -9.26kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  49nM ΔG°:  -9.26kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  49nM ΔG°:  -9.26kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  690nM ΔG°:  -8.82kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  690nMAssay 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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  690nM ΔG°:  -8.82kcal/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
LigandPNGBDBM163957(US9062078, 88 | US9475819, 88 | US9637496, 88 | US...)
Show SMILES COc1ccc2cccnc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2
Show InChI InChI=1S/C23H23N3O3/c1-28-19-10-7-15-5-4-12-25-22(15)21(19)23(27)26-17-8-9-18(26)16(13-17)14-29-20-6-2-3-11-24-20/h2-7,10-12,16-18H,8-9,13-14H2,1H3
Affinity DataKi:  690nM ΔG°:  -8.82kcal/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