BDBM97402 Orexin receptor antagonist 34::US20130102619, 34

SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N

InChI Key InChIKey=DVQKBFBIBGIHAF-CRAIPNDOSA-N

Data  2 KI  2 IC50

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 97402   

TargetOrexin receptor type 2(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM97402(Orexin receptor antagonist 34 | US20130102619, 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1
Affinity DataKi:  3.5nMAssay Description:The inhibition constant (ki) is determined using a radioligand assay.More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Homo sapiens (Human))
TBA

US Patent
LigandPNGBDBM97402(Orexin receptor antagonist 34 | US20130102619, 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1
Affinity DataKi:  868nMAssay Description:The inhibition constant (ki) is determined using a radioligand assay.More data for this Ligand-Target Pair
TargetOrexin receptor type 2(Rattus norvegicus (Rat))
TBA

US Patent
LigandPNGBDBM97402(Orexin receptor antagonist 34 | US20130102619, 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1
Affinity DataIC50: 48nMT: 2°CAssay Description:FLIPR assay using orexin receptor.More data for this Ligand-Target Pair
TargetOrexin/Hypocretin receptor type 1(Rattus norvegicus (Rat))
TBA

US Patent
LigandPNGBDBM97402(Orexin receptor antagonist 34 | US20130102619, 34)
Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-c1ncccn1)Oc1cc(ccn1)C#N
Show InChI InChI=1S/C23H20FN5O2/c1-15-3-5-18(31-21-11-16(13-25)7-10-26-21)14-29(15)23(30)19-6-4-17(24)12-20(19)22-27-8-2-9-28-22/h2,4,6-12,15,18H,3,5,14H2,1H3/t15-,18-/m1/s1
Affinity DataIC50: 1.00E+4nMT: 2°CAssay Description:FLIPR assay using orexin receptor.More data for this Ligand-Target Pair