BDBM163977 US9062078, 108::US9475819, 108::US9637496, 108::US9695183, 108

SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1

InChI Key InChIKey=DFEKQDAZWFHCQK-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 = 163977   

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

US Patent
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  10nM ΔG°:  -10.1kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  10nMAssay 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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  10nM ΔG°:  -10.1kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  10nM ΔG°:  -11.5kcal/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 receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -11.3kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nMAssay 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(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nMAssay 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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -10.0kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -10.0kcal/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 receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -11.3kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -11.3kcal/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
LigandPNGBDBM163977(US9062078, 108 | US9475819, 108 | US9637496, 108 |...)
Show SMILES COc1cccc(c1C(=O)N1C2CCC1C(COc1ccc(F)cn1)C2)-n1nccn1
Show InChI InChI=1S/C22H22FN5O3/c1-30-19-4-2-3-18(28-25-9-10-26-28)21(19)22(29)27-16-6-7-17(27)14(11-16)13-31-20-8-5-15(23)12-24-20/h2-5,8-10,12,14,16-17H,6-7,11,13H2,1H3
Affinity DataKi:  12nM ΔG°:  -10.0kcal/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