BDBM163968 US9062078, 99::US9475819, 99::US9637496, 99::US9695183, 99

SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2

InChI Key InChIKey=GLMTYLNCWJSHLG-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 163968   

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

US Patent
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  1.50E+3nM ΔG°:  -7.38kcal/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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  1.50E+3nMAssay 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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  1.50E+3nM ΔG°:  -7.38kcal/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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  1.50E+3nM ΔG°:  -8.34kcal/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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  2.90E+3nMAssay 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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  2.90E+3nM ΔG°:  -7.93kcal/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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  2.90E+3nM ΔG°:  -7.93kcal/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
LigandPNGBDBM163968(US9062078, 99 | US9475819, 99 | US9637496, 99 | US...)
Show SMILES Cc1cc(on1)-c1ccc(C)nc1C(=O)N1C2CCC1C(COc1ncc(F)cn1)C2
Show InChI InChI=1S/C22H22FN5O3/c1-12-3-5-17(19-7-13(2)27-31-19)20(26-12)21(29)28-16-4-6-18(28)14(8-16)11-30-22-24-9-15(23)10-25-22/h3,5,7,9-10,14,16,18H,4,6,8,11H2,1-2H3
Affinity DataKi:  2.90E+3nM ΔG°:  -7.93kcal/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