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5 similar compounds to monomer 50417257

Compile data set for download or QSAR
Wt: 491.5
BDBM50384412
Wt: 473.5
BDBM50384423
Wt: 487.6
BDBM50384424
Wt: 527.5
BDBM50384427
Wt: 477.5
BDBM50384437

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50384412,50384423,50384424,50384427,50384437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/s2
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n/an/a 8.70n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384427
PNG
(CHEMBL2031490 | US9896452, Example 139)
Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/s2
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US Patent
n/an/a 17n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384427
PNG
(CHEMBL2031490 | US9896452, Example 139)
Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/s2
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n/an/a 40n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384412
PNG
(CHEMBL2031504)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/s2
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n/an/a 8n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384424
PNG
(CHEMBL2031486 | US9896452, Example 124)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/s2
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n/an/a 15n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384427
PNG
(CHEMBL2031490 | US9896452, Example 139)
Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/s2
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n/an/a 10n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384437
PNG
(CHEMBL2031501)
Show SMILES Cc1nc(C(=O)N2CC(F)CC[C@H]2CNC(=O)c2cccc3occc23)c(s1)-c1ccccc1
Show InChI InChI=1/C26H24FN3O3S/c1-16-29-23(24(34-16)17-6-3-2-4-7-17)26(32)30-15-18(27)10-11-19(30)14-28-25(31)21-8-5-9-22-20(21)12-13-33-22/h2-9,12-13,18-19H,10-11,14-15H2,1H3,(H,28,31)/t18?,19-/s2
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n/an/a 1n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384412
PNG
(CHEMBL2031504)
Show SMILES C[C@H]1CCC[C@@H](CNC(=O)c2cccc3occc23)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
Show InChI InChI=1/C27H26FN3O3S/c1-16-5-3-6-20(15-29-26(32)22-7-4-8-23-21(22)13-14-34-23)31(16)27(33)24-25(35-17(2)30-24)18-9-11-19(28)12-10-18/h4,7-14,16,20H,3,5-6,15H2,1-2H3,(H,29,32)/t16-,20-/s2
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n/an/a 0.800n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX1 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/s2
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US Patent
n/an/a 1n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384423
PNG
(CHEMBL2031485 | US9896452, Example 62)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2occc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C27H27N3O3S/c1-17-8-7-14-30(27(32)24-25(34-18(2)29-24)19-9-4-3-5-10-19)22(17)16-28-26(31)21-11-6-12-23-20(21)13-15-33-23/h3-6,9-13,15,17,22H,7-8,14,16H2,1-2H3,(H,28,31)/t17-,22-/s2
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US Patent
n/an/a 8n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384424
PNG
(CHEMBL2031486 | US9896452, Example 124)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/s2
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US Patent
n/an/a 15n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384424
PNG
(CHEMBL2031486 | US9896452, Example 124)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/s2
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US Patent
n/an/a 237n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50384427
PNG
(CHEMBL2031490 | US9896452, Example 139)
Show SMILES Cc1nc(C(=O)N2CCC[C@H]([C@H]2CNC(=O)c2cccc3occc23)C(F)(F)F)c(s1)-c1ccccc1
Show InChI InChI=1/C27H24F3N3O3S/c1-16-32-23(24(37-16)17-7-3-2-4-8-17)26(35)33-13-6-10-20(27(28,29)30)21(33)15-31-25(34)19-9-5-11-22-18(19)12-14-36-22/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3,(H,31,34)/t20-,21-/s2
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US Patent
n/an/a 3n/an/an/an/an/an/a



EOLAS THERAPEUTICS, INC.

US Patent


Assay Description
Measurement of [Ca2+]i using a FLIPR: CHO-OX1 or CHO-OX2 cells are seeded into black-walled clear-base 384-well plates (Costar) at a density of 20,00...


US Patent US9896452 (2018)

More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50384424
PNG
(CHEMBL2031486 | US9896452, Example 124)
Show SMILES C[C@@H]1CCCN([C@@H]1CNC(=O)c1cccc2oc(C)cc12)C(=O)c1nc(C)sc1-c1ccccc1
Show InChI InChI=1/C28H29N3O3S/c1-17-9-8-14-31(28(33)25-26(35-19(3)30-25)20-10-5-4-6-11-20)23(17)16-29-27(32)21-12-7-13-24-22(21)15-18(2)34-24/h4-7,10-13,15,17,23H,8-9,14,16H2,1-3H3,(H,29,32)/t17-,23-/s2
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n/an/a 221n/an/an/an/an/an/a



Scripps Florida

Curated by ChEMBL


Assay Description
Antagonist activity at OX2 receptor expressed in CHO cells assessed as inhibition of OXA-stimulated intracellular calcium mobilization after 30 mins ...


Bioorg Med Chem Lett 22: 3890-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.122
BindingDB Entry DOI: 10.7270/Q2M046GG
More data for this
Ligand-Target Pair