Compile Data Set for Download or QSAR
Found 26 Enz. Inhib. hit(s) with all data for entry = 10882
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576194(WO2022094012, Example 1A)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OC3CC[C@@H](C3)CCNC1=O)n2
Show InChI InChI=1S/C24H29N5O2/c1-3-29-16(2)18-5-4-6-19(14-18)21-15-28-12-11-25-22(28)23(27-21)31-20-8-7-17(13-20)9-10-26-24(29)30/h4-6,11-12,14-17,20H,3,7-10,13H2,1-2H3,(H,26,30)/t16-,17-,20?/m1/s1
Affinity DataEC50:  1.06E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576219(WO2022094012, Example 21B)
Show SMILES CCN1[C@H](C)c2ccc(OC)c(c2)-c2cn3ccnc3c(OCCCOC[C@H](CCC(F)(F)F)NC1=O)n2
Show InChI InChI=1S/C26H32F3N5O4/c1-4-34-17(2)18-6-7-22(36-3)20(14-18)21-15-33-11-10-30-23(33)24(32-21)38-13-5-12-37-16-19(31-25(34)35)8-9-26(27,28)29/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13,16H2,1-3H3,(H,31,35)/t17-,19+/m1/s1
Affinity DataEC50:  0.5nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576196(WO2022094012, Example 2)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCOCCNC1=O)n2
Show InChI InChI=1S/C21H25N5O3/c1-3-26-15(2)16-5-4-6-17(13-16)18-14-25-9-7-22-19(25)20(24-18)29-12-11-28-10-8-23-21(26)27/h4-7,9,13-15H,3,8,10-12H2,1-2H3,(H,23,27)/t15-/m1/s1
Affinity DataEC50:  813nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576197(WO2022094012, Example 3)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCN(CCNC1=O)C(C)C)n2
Show InChI InChI=1S/C24H32N6O2/c1-5-30-18(4)19-7-6-8-20(15-19)21-16-29-12-9-25-22(29)23(27-21)32-14-13-28(17(2)3)11-10-26-24(30)31/h6-9,12,15-18H,5,10-11,13-14H2,1-4H3,(H,26,31)/t18-/m1/s1
Affinity DataEC50:  2.50E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576198(WO2022094012, Example 4)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCC3CCCN3CCCNC1=O)n2
Show InChI InChI=1S/C25H32N6O2/c1-3-31-18(2)19-7-4-8-20(15-19)22-16-30-14-11-26-23(30)24(28-22)33-17-21-9-5-12-29(21)13-6-10-27-25(31)32/h4,7-8,11,14-16,18,21H,3,5-6,9-10,12-13,17H2,1-2H3,(H,27,32)/t18-,21?/m1/s1
Affinity DataEC50:  3.84E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576199(WO2022094012, Example 5)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OC3CCCN(C3)CCNC1=O)n2
Show InChI InChI=1S/C24H30N6O2/c1-3-30-17(2)18-6-4-7-19(14-18)21-16-29-13-10-25-22(29)23(27-21)32-20-8-5-11-28(15-20)12-9-26-24(30)31/h4,6-7,10,13-14,16-17,20H,3,5,8-9,11-12,15H2,1-2H3,(H,26,31)/t17-,20?/m1/s1
Affinity DataEC50:  1.38E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576200(WO2022094012, Example 6A)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCOCC[C@@H](CCC(F)(F)F)NC1=O)n2
Show InChI InChI=1S/C25H31F3N6O4/c1-4-34-16(2)19-13-18(21(36-3)14-30-19)20-15-33-9-8-29-22(33)23(32-20)38-12-11-37-10-6-17(31-24(34)35)5-7-25(26,27)28/h8-9,13-17H,4-7,10-12H2,1-3H3,(H,31,35)/t16-,17-/m1/s1
Affinity DataEC50:  12nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576201(WO2022094012, Example 6B)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCOCC[C@H](CCC(F)(F)F)NC1=O)n2
Show InChI InChI=1S/C25H31F3N6O4/c1-4-34-16(2)19-13-18(21(36-3)14-30-19)20-15-33-9-8-29-22(33)23(32-20)38-12-11-37-10-6-17(31-24(34)35)5-7-25(26,27)28/h8-9,13-17H,4-7,10-12H2,1-3H3,(H,31,35)/t16-,17+/m1/s1
Affinity DataEC50:  0.600nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576202(WO2022094012, Example 7)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCOCCCNC1=O)n2
Show InChI InChI=1S/C22H28N6O4/c1-4-28-15(2)17-12-16(19(30-3)13-25-17)18-14-27-8-7-23-20(27)21(26-18)32-11-10-31-9-5-6-24-22(28)29/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,24,29)/t15-/m1/s1
Affinity DataEC50:  4.60nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576203(WO2022094012, Example 8)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCCOCCNC1=O)n2
Show InChI InChI=1S/C22H28N6O4/c1-4-28-15(2)17-12-16(19(30-3)13-25-17)18-14-27-8-6-23-20(27)21(26-18)32-10-5-9-31-11-7-24-22(28)29/h6,8,12-15H,4-5,7,9-11H2,1-3H3,(H,24,29)/t15-/m1/s1
Affinity DataEC50:  14nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576204(WO2022094012, Example 9A)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCCCC[C@@H](C)NC1=O)n2
Show InChI InChI=1S/C24H32N6O3/c1-5-30-17(3)19-13-18(21(32-4)14-26-19)20-15-29-11-10-25-22(29)23(28-20)33-12-8-6-7-9-16(2)27-24(30)31/h10-11,13-17H,5-9,12H2,1-4H3,(H,27,31)/t16-,17-/m1/s1
Affinity DataEC50:  416nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576205(WO2022094012, Example 9B)
Show SMILES CCN1[C@H](C)c2cc(c(OC)cn2)-c2cn3ccnc3c(OCCCCC[C@H](C)NC1=O)n2
Show InChI InChI=1S/C24H32N6O3/c1-5-30-17(3)19-13-18(21(32-4)14-26-19)20-15-29-11-10-25-22(29)23(28-20)33-12-8-6-7-9-16(2)27-24(30)31/h10-11,13-17H,5-9,12H2,1-4H3,(H,27,31)/t16-,17+/m0/s1
Affinity DataEC50:  6nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576206((R,E)-4-ethyl-3-methyl-13-oxa-4,6,9-triaza-1(6,8)-...)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCNCCNC1=O)n2
Show InChI InChI=1S/C22H28N6O2/c1-3-28-16(2)17-6-4-7-18(14-17)19-15-27-12-11-24-20(27)21(26-19)30-13-5-8-23-9-10-25-22(28)29/h4,6-7,11-12,14-16,23H,3,5,8-10,13H2,1-2H3,(H,25,29)/t16-/m1/s1
Affinity DataEC50:  950nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576207(WO2022094012, Example 11)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCNCCCNC1=O)n2
Show InChI InChI=1S/C22H28N6O2/c1-3-28-16(2)17-6-4-7-18(14-17)19-15-27-12-10-24-20(27)21(26-19)30-13-11-23-8-5-9-25-22(28)29/h4,6-7,10,12,14-16,23H,3,5,8-9,11,13H2,1-2H3,(H,25,29)/t16-/m1/s1
Affinity DataEC50:  778nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576208(WO2022094012, Example 12)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCCCCNC1=O)n2
Show InChI InChI=1S/C23H29N5O2/c1-3-28-17(2)18-9-8-10-19(15-18)20-16-27-13-12-24-21(27)22(26-20)30-14-7-5-4-6-11-25-23(28)29/h8-10,12-13,15-17H,3-7,11,14H2,1-2H3,(H,25,29)/t17-/m1/s1
Affinity DataEC50:  20nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576209(WO2022094012, Example 13)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCC(C)(C)CCCNC1=O)n2
Show InChI InChI=1S/C24H31N5O2/c1-5-29-17(2)18-8-6-9-19(14-18)20-15-28-13-12-25-21(28)22(27-20)31-16-24(3,4)10-7-11-26-23(29)30/h6,8-9,12-15,17H,5,7,10-11,16H2,1-4H3,(H,26,30)/t17-/m1/s1
Affinity DataEC50:  634nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576210(WO2022094012, Example 14)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCOCCCNC1=O)n2
Show InChI InChI=1S/C22H27N5O3/c1-3-27-16(2)17-6-4-7-18(14-17)19-15-26-10-9-23-20(26)21(25-19)30-13-12-29-11-5-8-24-22(27)28/h4,6-7,9-10,14-16H,3,5,8,11-13H2,1-2H3,(H,24,28)/t16-/m1/s1
Affinity DataEC50:  9.70nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576211(WO2022094012, Example 15)
Show SMILES CCN1CCCOc2nc(cn3ccnc23)-c2cccc(c2)[C@@H](C)N(CC)C(=O)NCC1
Show InChI InChI=1S/C24H32N6O2/c1-4-28-12-7-15-32-23-22-25-11-14-29(22)17-21(27-23)20-9-6-8-19(16-20)18(3)30(5-2)24(31)26-10-13-28/h6,8-9,11,14,16-18H,4-5,7,10,12-13,15H2,1-3H3,(H,26,31)/t18-/m1/s1
Affinity DataEC50:  1.18E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576212(WO2022094012, Example 16)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OC(C)CCN(C)CCNC1=O)n2
Show InChI InChI=1S/C24H32N6O2/c1-5-30-18(3)19-7-6-8-20(15-19)21-16-29-14-11-25-22(29)23(27-21)32-17(2)9-12-28(4)13-10-26-24(30)31/h6-8,11,14-18H,5,9-10,12-13H2,1-4H3,(H,26,31)/t17?,18-/m1/s1
Affinity DataEC50:  3.88E+3nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576213(WO2022094012, Example 17)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCOCCNC1=O)n2
Show InChI InChI=1S/C22H27N5O3/c1-3-27-16(2)17-6-4-7-18(14-17)19-15-26-10-8-23-20(26)21(25-19)30-12-5-11-29-13-9-24-22(27)28/h4,6-8,10,14-16H,3,5,9,11-13H2,1-2H3,(H,24,28)/t16-/m1/s1
Affinity DataEC50:  19nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576214(WO2022094012, Example 18)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCCCC(C)NC1=O)n2
Show InChI InChI=1S/C24H31N5O2/c1-4-29-18(3)19-10-8-11-20(15-19)21-16-28-13-12-25-22(28)23(27-21)31-14-7-5-6-9-17(2)26-24(29)30/h8,10-13,15-18H,4-7,9,14H2,1-3H3,(H,26,30)/t17?,18-/m1/s1
Affinity DataEC50:  27nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576215(WO2022094012, Example 19A)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCCC[C@H](NC1=O)c1cscn1)n2
Show InChI InChI=1S/C26H30N6O2S/c1-3-32-18(2)19-8-7-9-20(14-19)22-15-31-12-11-27-24(31)25(29-22)34-13-6-4-5-10-21(30-26(32)33)23-16-35-17-28-23/h7-9,11-12,14-18,21H,3-6,10,13H2,1-2H3,(H,30,33)/t18-,21+/m1/s1
Affinity DataEC50:  337nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576216(WO2022094012, Example 19B)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCCC[C@@H](NC1=O)c1cscn1)n2
Show InChI InChI=1S/C26H30N6O2S/c1-3-32-18(2)19-8-7-9-20(14-19)22-15-31-12-11-27-24(31)25(29-22)34-13-6-4-5-10-21(30-26(32)33)23-16-35-17-28-23/h7-9,11-12,14-18,21H,3-6,10,13H2,1-2H3,(H,30,33)/t18-,21-/m1/s1
Affinity DataEC50:  6.60nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576217(WO2022094012, Example 20)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OCCCCCC(NC1=O)c1ccon1)n2
Show InChI InChI=1S/C26H30N6O3/c1-3-32-18(2)19-8-7-9-20(16-19)23-17-31-13-12-27-24(31)25(28-23)34-14-6-4-5-10-21(29-26(32)33)22-11-15-35-30-22/h7-9,11-13,15-18,21H,3-6,10,14H2,1-2H3,(H,29,33)/t18-,21?/m1/s1
Affinity DataEC50:  9.5nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576218(WO2022094012, Example 21A)
Show SMILES CCN1[C@H](C)c2ccc(OC)c(c2)-c2cn3ccnc3c(OCCCOC[C@@H](CCC(F)(F)F)NC1=O)n2
Show InChI InChI=1S/C26H32F3N5O4/c1-4-34-17(2)18-6-7-22(36-3)20(14-18)21-15-33-11-10-30-23(33)24(32-21)38-13-5-12-37-16-19(31-25(34)35)8-9-26(27,28)29/h6-7,10-11,14-15,17,19H,4-5,8-9,12-13,16H2,1-3H3,(H,31,35)/t17-,19-/m1/s1
Affinity DataEC50:  20nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetOrexin receptor type 2(Homo sapiens (Human))
MERCK SHARP & DOHME LLC

WIPO
LigandPNGBDBM576195(WO2022094012, Example 1B)
Show SMILES CCN1[C@H](C)c2cccc(c2)-c2cn3ccnc3c(OC3CC[C@H](C3)CCNC1=O)n2
Show InChI InChI=1S/C24H29N5O2/c1-3-29-16(2)18-5-4-6-19(14-18)21-15-28-12-11-25-22(28)23(27-21)31-20-8-7-17(13-20)9-10-26-24(29)30/h4-6,11-12,14-17,20H,3,7-10,13H2,1-2H3,(H,26,30)/t16-,17+,20?/m1/s1
Affinity DataEC50:  126nMAssay Description: In a typical experiment, the OX1 and OX2 receptor agonist activity is determined in accordance with the following general experimental method. Chine...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid