BDBM257947 US9493446, 416

SMILES COc1ccc(C)c(c1)-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1

InChI Key InChIKey=AGAFBABVKPULNQ-FQEVSTJZSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 257947   

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

US Patent
LigandPNGBDBM257947(US9493446, 416)
Show SMILES COc1ccc(C)c(c1)-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C23H21ClN6O3/c1-14-5-7-16(32-2)13-17(14)22-27-21(28-33-22)20-4-3-11-29(20)23(31)18-12-15(24)6-8-19(18)30-25-9-10-26-30/h5-10,12-13,20H,3-4,11H2,1-2H3/t20-/m0/s1
Affinity DataIC50: 20nMT: 2°CAssay Description:Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
Actelion Pharmaceuticals Ltd

US Patent
LigandPNGBDBM257947(US9493446, 416)
Show SMILES COc1ccc(C)c(c1)-c1nc(no1)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-n1nccn1
Show InChI InChI=1S/C23H21ClN6O3/c1-14-5-7-16(32-2)13-17(14)22-27-21(28-33-22)20-4-3-11-29(20)23(31)18-12-15(24)6-8-19(18)30-25-9-10-26-30/h5-10,12-13,20H,3-4,11H2,1-2H3/t20-/m0/s1
Affinity DataIC50: 152nMT: 2°CAssay Description:Human orexin-A as an agonist is prepared as 1 mM stock solution in MeOH: water (1:1), diluted in HBSS containing 0.1% bovine serum albumin (BSA), NaH...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid