BDBM118528 US11059828, Example 181::US8653263, 181::US9586962, Example 181::USRE48841, Example 181

SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1

InChI Key InChIKey=ALBSLXVPHZRNMG-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 = 118528   

TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  3.56E+3nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  3.56E+3nM ΔG°:  -7.43kcal/moleT: 2°CAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  3.56E+3nMAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  3.56E+3nMAssay Description:The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  9.00E+3nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  9.00E+3nMAssay Description:Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  9.00E+3nMAssay Description:The in vitro affinity of the compounds for the human orexin-1 and orexin-2 receptors was determined by competitive radioligand binding using [3H]SB S...More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118528(US11059828, Example 181 | US8653263, 181 | US95869...)
Show SMILES O=C(N1CC2CN(CC2C1)c1cnc2ccccc2n1)c1ccccc1-c1cccnc1
Show InChI InChI=1S/C26H23N5O/c32-26(22-8-2-1-7-21(22)18-6-5-11-27-12-18)31-16-19-14-30(15-20(19)17-31)25-13-28-23-9-3-4-10-24(23)29-25/h1-13,19-20H,14-17H2
Affinity DataKi:  9.00E+3nM ΔG°:  -6.88kcal/moleT: 2°CAssay Description:HEK293 stably expressing human orexin-2 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM/F12 (Gibco, Cat #11039), in D...More data for this Ligand-Target Pair