BDBM50447762 CHEMBL3112601::US9242970, 4

SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1

InChI Key InChIKey=ADMREWYBXXZUMI-UHFFFAOYSA-N

Data  10 IC50

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 10 hits for monomerid = 50447762   

TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 58nMT: 2°CAssay Description:In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 174nMT: 2°CAssay Description:In Vitro Assay: Intracellular Calcium Measurements:Chinese hamster ovary (CHO) cells expressing the human orexin-1 receptor and the human orexin-2 re...More data for this Ligand-Target Pair
TargetCytochrome P450 2D6(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
TargetCytochrome P450 2C9(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

Curated by ChEMBL
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 42nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 16nMAssay Description:Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 49nMAssay Description:Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 329nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetOrexin receptor type 2(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 41nMAssay Description:Antagonist activity at human orexin 2 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM50447762(CHEMBL3112601 | US9242970, 4)
Show SMILES COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2n1
Show InChI InChI=1S/C23H24N2O3/c1-27-20-10-6-11-21(28-2)23(20)19-9-5-12-22(26)25(19)15-17-14-13-16-7-3-4-8-18(16)24-17/h3-4,6-8,10-11,13-14,19H,5,9,12,15H2,1-2H3
Affinity DataIC50: 1.42E+3nMAssay Description:Antagonist activity at human orexin 1 receptor expressed in CHO cells assessed as inhibition of orexin-A-induced calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair