BDBM118474 US11059828, Example 127::US8653263, 127::US9586962, Example 127::USRE48841, Example 127

SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1

InChI Key InChIKey=ABKKOOXXHVYISB-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 = 118474   

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

US Patent
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  40nM ΔG°:  -10.1kcal/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
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Janssen Pharmaceutica NV

US Patent
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  40nMAssay 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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  40nMAssay 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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  40nMAssay 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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  55nMAssay 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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  55nM ΔG°:  -9.90kcal/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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  55nMAssay 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
LigandPNGBDBM118474(US11059828, Example 127 | US8653263, 127 | US95869...)
Show SMILES Cc1ccc(c(c1)C(=O)N1CC2CN(CC2C1)c1nccc(n1)-c1ccccc1)-n1nccn1
Show InChI InChI=1S/C26H25N7O/c1-18-7-8-24(33-28-11-12-29-33)22(13-18)25(34)31-14-20-16-32(17-21(20)15-31)26-27-10-9-23(30-26)19-5-3-2-4-6-19/h2-13,20-21H,14-17H2,1H3
Affinity DataKi:  55nMAssay 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