BDBM118375 US11059828, Example 28::US8653263, 28::US9586962, Example 28::USRE48841, Example 28

SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1

InChI Key InChIKey=ACYFNSJZZLHDLT-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 = 118375   

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

US Patent
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  575nMAssay 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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  575nM ΔG°:  -8.51kcal/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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  575nMAssay 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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  575nMAssay 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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  1.79E+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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  1.79E+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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  1.79E+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
LigandPNGBDBM118375(US11059828, Example 28 | US8653263, 28 | US9586962...)
Show SMILES Fc1ccc(cc1)-c1ccccc1C(=O)N1CC2CN(CC2C1)c1cnc2ccccc2n1
Show InChI InChI=1S/C27H23FN4O/c28-21-11-9-18(10-12-21)22-5-1-2-6-23(22)27(33)32-16-19-14-31(15-20(19)17-32)26-13-29-24-7-3-4-8-25(24)30-26/h1-13,19-20H,14-17H2
Affinity DataKi:  1.79E+3nM ΔG°:  -7.84kcal/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