BDBM118379 US11059828, Example 32::US8653263, 32::US9586962, Example 32::USRE48841, Example 32

SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1

InChI Key InChIKey=AJFJWKCDKOIHQS-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 = 118379   

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

US Patent
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
Affinity DataKi:  47nM ΔG°:  -9.99kcal/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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
Affinity DataKi:  47nMAssay 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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
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
LigandPNGBDBM118379(US11059828, Example 32 | US8653263, 32 | US9586962...)
Show SMILES Cc1ccnc(n1)N1CC2CN(CC2C1)C(=O)c1ccccc1-c1cccs1
Show InChI InChI=1S/C22H22N4OS/c1-15-8-9-23-22(24-15)26-13-16-11-25(12-17(16)14-26)21(27)19-6-3-2-5-18(19)20-7-4-10-28-20/h2-10,16-17H,11-14H2,1H3
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