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Compile Data Set for Download or QSAR

Found 2435 hits with Last Name = 'ujjainwalla' and Initial = 'f'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468144
PNG
(CHEMBL4286244)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-19(2)31-17-22(26-24(20-6-7-20)4-3-5-25(26)31)16-30-14-12-29(13-15-30)18-32(28(35)36-29)23-10-8-21(9-11-23)27(33)34/h3-5,8-11,17,19-20H,6-7,12-16,18H2,1-2H3,(H,33,34)
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n/an/a 0.100n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123235
PNG
(US8742110, 3-20)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C32H35FN2O7/c1-4-40-27-16-21(17-28(41-5-2)29(27)22-6-8-23(33)9-7-22)19-34-14-12-32(13-15-34)20-35(31(38)42-32)24-10-11-25(30(36)37)26(18-24)39-3/h6-11,16-18H,4-5,12-15,19-20H2,1-3H3,(H,36,37)
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n/an/a 0.129n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123247
PNG
(US8742110, 4-11)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-27-13-20(22(12-18(27)2)23-14-25(32)26(33)15-24(23)31)16-34-10-8-30(9-11-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-7,12-15H,3,8-11,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.152n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123253
PNG
(US8742110, 4-17)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(OC(F)(F)F)ccc3-c3ccc(F)c(F)c3F)CC2)OC1=O
Show InChI InChI=1S/C28H22F6N2O5/c29-22-8-7-21(23(30)24(22)31)20-6-5-19(40-28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)41-27)18-3-1-16(2-4-18)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)
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n/an/a 0.165n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123270
PNG
(US8742110, 5-6)
Show SMILES COc1cccc2c(OC)cc(CN3CCC4(CN(C(=O)O4)c4ccc(cc4)C(O)=O)CC3)cc12
Show InChI InChI=1S/C27H28N2O6/c1-33-23-5-3-4-21-22(23)14-18(15-24(21)34-2)16-28-12-10-27(11-13-28)17-29(26(32)35-27)20-8-6-19(7-9-20)25(30)31/h3-9,14-15H,10-13,16-17H2,1-2H3,(H,30,31)
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n/an/a 0.172n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)		BDBM50362418
PNG
(CHEMBL1938418)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-10-5-24(34)19-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.180n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay

Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123248
PNG
(US8742110, 4-12)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(C)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-20(24(14-19(26)3)23-7-8-25(32)28(34)27(23)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)21-5-6-22(29(37)38)18(2)13-21/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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n/an/a 0.188n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)		BDBM50362419
PNG
(CHEMBL1940544)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(F)ccc2o1 |r|
Show InChI InChI=1S/C33H37FN4O3S/c1-40-26-7-3-23(4-8-26)33(12-2-13-33)36-25-6-9-27(28(20-25)22-11-18-42-21-22)31(39)37-14-16-38(17-15-37)32-35-29-19-24(34)5-10-30(29)41-32/h3-5,7-8,10-11,18-19,21,25,27-28,36H,2,6,9,12-17,20H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.200n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay

Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468160
PNG
(CHEMBL4293458)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-21(27-23(4-3-5-26(27)37)24-10-11-25(33)29(35)28(24)34)16-36-14-12-32(13-15-36)18-38(31(41)42-32)22-8-6-20(7-9-22)30(39)40/h3-11,17,19H,12-16,18H2,1-2H3,(H,39,40)
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n/an/a 0.200n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
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n/an/a 0.200n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50249076
PNG
(CHEMBL4096914)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(Cl)ccc(F)c12
Show InChI InChI=1S/C15H13ClFN3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

Bioorg Med Chem Lett 27: 2384-2388 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.021
BindingDB Entry DOI: 10.7270/Q2MC92F2
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123300
PNG
(US8742110, 6-18)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(OCc3ccccc3)cccc12
Show InChI InChI=1S/C33H35N3O5/c1-23(2)35-20-26(30-28(35)9-6-10-29(30)40-21-24-7-4-3-5-8-24)19-34-17-15-33(16-18-34)22-36(32(39)41-33)27-13-11-25(12-14-27)31(37)38/h3-14,20,23H,15-19,21-22H2,1-2H3,(H,37,38)
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n/an/a 0.225n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123254
PNG
(US8742110, 4-18)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(C(O)=O)c(OC)c3)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O6/c1-4-41-25-14-19(23(13-18(25)2)21-7-8-24(32)28(34)27(21)33)16-35-11-9-31(10-12-35)17-36(30(39)42-31)20-5-6-22(29(37)38)26(15-20)40-3/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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n/an/a 0.228n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123271
PNG
(US8742110, 5-7)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c(OC)ccc(Cl)c12
Show InChI InChI=1S/C28H29ClN2O6/c1-3-36-24-15-18(14-21-23(35-2)9-8-22(29)25(21)24)16-30-12-10-28(11-13-30)17-31(27(34)37-28)20-6-4-19(5-7-20)26(32)33/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,32,33)
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n/an/a 0.233n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123255
PNG
(US8742110, 4-19)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc4CCCc4cc3-c3cc(F)c(F)cc3F)CC2)OC1=O
Show InChI InChI=1S/C30H27F3N2O4/c31-25-15-27(33)26(32)14-24(25)23-13-20-3-1-2-19(20)12-21(23)16-34-10-8-30(9-11-34)17-35(29(38)39-30)22-6-4-18(5-7-22)28(36)37/h4-7,12-15H,1-3,8-11,16-17H2,(H,36,37)
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n/an/a 0.243n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123296
PNG
(US8742110, 6-14)
Show SMILES CC(C)n1nc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C32H34N4O5/c1-22(2)36-29-13-12-26(40-20-23-6-4-3-5-7-23)18-27(29)28(33-36)19-34-16-14-32(15-17-34)21-35(31(39)41-32)25-10-8-24(9-11-25)30(37)38/h3-13,18,22H,14-17,19-21H2,1-2H3,(H,37,38)
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n/an/a 0.260n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123252
PNG
(US8742110, 4-16)
Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-14-26(32)27(33)15-25(24)31)20(13-22)16-34-11-9-30(10-12-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-8,13-15,18H,9-12,16-17H2,1-2H3,(H,36,37)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468144
PNG
(CHEMBL4286244)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)C1CC1
Show InChI InChI=1S/C29H33N3O4/c1-19(2)31-17-22(26-24(20-6-7-20)4-3-5-25(26)31)16-30-14-12-29(13-15-30)18-32(28(35)36-29)23-10-8-21(9-11-23)27(33)34/h3-5,8-11,17,19-20H,6-7,12-16,18H2,1-2H3,(H,33,34)
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n/an/a 0.300n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Mus musculus)		BDBM123216
PNG
(US8742110, 3-1)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33FN2O6/c1-3-38-26-17-21(18-27(39-4-2)28(26)22-5-9-24(32)10-6-22)19-33-15-13-31(14-16-33)20-34(30(37)40-31)25-11-7-23(8-12-25)29(35)36/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,35,36)
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n/an/a 0.300n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Cytochrome P450 11B2, mitochondrial


(Homo sapiens (Human))		BDBM50249075
PNG
(CHEMBL4069720)
Show SMILES CC(C)(O)c1cncc(c1)-n1ncc2c(F)ccc(F)c12
Show InChI InChI=1S/C15H13F2N3O/c1-15(2,21)9-5-10(7-18-6-9)20-14-11(8-19-20)12(16)3-4-13(14)17/h3-8,21H,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human CYP11B2-CLE9 expressed in Chinese hamster V79 cells using 11-deoxycorticosterone as substrate preincubated for 1 hr followed by s...

Bioorg Med Chem Lett 27: 2384-2388 (2017)


Article DOI: 10.1016/j.bmcl.2017.04.021
BindingDB Entry DOI: 10.7270/Q2MC92F2
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123277
PNG
(US8742110, 5-13)
Show SMILES Cc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2c1OCCC2(C)C
Show InChI InChI=1S/C27H32N2O5/c1-18-14-19(15-22-23(18)33-13-10-26(22,2)3)16-28-11-8-27(9-12-28)17-29(25(32)34-27)21-6-4-20(5-7-21)24(30)31/h4-7,14-15H,8-13,16-17H2,1-3H3,(H,30,31)
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n/an/a 0.317n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123227
PNG
(US8742110, 3-12)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)-c3nnn[nH]3)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H33FN6O4/c1-3-40-26-17-21(18-27(41-4-2)28(26)22-5-9-24(32)10-6-22)19-37-15-13-31(14-16-37)20-38(30(39)42-31)25-11-7-23(8-12-25)29-33-35-36-34-29/h5-12,17-18H,3-4,13-16,19-20H2,1-2H3,(H,33,34,35,36)
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n/an/a 0.323n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)		BDBM50362420
PNG
(CHEMBL1940540)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccccc2s1 |r|
Show InChI InChI=1S/C33H38N4O2S2/c1-39-26-10-7-24(8-11-26)33(14-4-15-33)35-25-9-12-27(28(21-25)23-13-20-40-22-23)31(38)36-16-18-37(19-17-36)32-34-29-5-2-3-6-30(29)41-32/h2-3,5-8,10-11,13,20,22,25,27-28,35H,4,9,12,14-19,21H2,1H3/t25-,27+,28-/m1/s1
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n/an/a 0.330n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay

Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123306
PNG
(US8742110, 6-24)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(ccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-22(25-15-21(5-10-27(25)37)24-8-9-26(33)29(35)28(24)34)16-36-13-11-32(12-14-36)18-38(31(41)42-32)23-6-3-20(4-7-23)30(39)40/h3-10,15,17,19H,11-14,16,18H2,1-2H3,(H,39,40)
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n/an/a 0.342n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123234
PNG
(US8742110, 3-19)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32ClFN2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(33)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)32/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)
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n/an/a 0.359n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123264
PNG
(US8742110, 4-28)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-n1cc(C)cn1
Show InChI InChI=1S/C28H32N4O5/c1-4-36-25-14-22(24(13-20(25)3)32-16-19(2)15-29-32)17-30-11-9-28(10-12-30)18-31(27(35)37-28)23-7-5-21(6-8-23)26(33)34/h5-8,13-16H,4,9-12,17-18H2,1-3H3,(H,33,34)
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n/an/a 0.395n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123257
PNG
(US8742110, 4-21)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H28F4N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-22(31)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-23(24)32/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)
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n/an/a 0.397n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468146
PNG
(CHEMBL4285917)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(c(Cl)cc3C3CC3)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C25H24ClF3N2O4/c26-21-12-19(15-1-2-15)17(11-20(21)25(27,28)29)13-30-9-7-24(8-10-30)14-31(23(34)35-24)18-5-3-16(4-6-18)22(32)33/h3-6,11-12,15H,1-2,7-10,13-14H2,(H,32,33)
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468157
PNG
(CHEMBL4289661)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN4O4/c1-20(2)35-18-23(27-26(11-14-33-28(27)35)21-3-7-24(32)8-4-21)17-34-15-12-31(13-16-34)19-36(30(39)40-31)25-9-5-22(6-10-25)29(37)38/h3-11,14,18,20H,12-13,15-17,19H2,1-2H3,(H,37,38)
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468157
PNG
(CHEMBL4289661)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(ccnc12)-c1ccc(F)cc1
Show InChI InChI=1S/C31H31FN4O4/c1-20(2)35-18-23(27-26(11-14-33-28(27)35)21-3-7-24(32)8-4-21)17-34-15-12-31(13-16-34)19-36(30(39)40-31)25-9-5-22(6-10-25)29(37)38/h3-11,14,18,20H,12-13,15-17,19H2,1-2H3,(H,37,38)
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5 expressed in CHOK1 cell membranes

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468136
PNG
(CHEMBL4287248)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(Cl)c(c(c3)C3CC3)-c3ccc(F)cc3F)CC2)OC1=O |(21.02,-19.09,;21.18,-20.63,;22.58,-21.25,;19.93,-21.53,;20.1,-23.06,;18.86,-23.97,;17.45,-23.35,;17.28,-21.81,;18.53,-20.9,;16.22,-24.26,;14.73,-23.79,;13.83,-25.05,;13.06,-26.37,;11.51,-26.37,;10.73,-25.04,;9.19,-25.04,;8.42,-23.71,;6.88,-23.71,;6.11,-22.39,;4.58,-22.39,;6.86,-21.06,;8.41,-21.06,;9.2,-22.38,;9.17,-19.71,;9.17,-18.18,;10.5,-18.93,;6.09,-19.73,;6.85,-18.39,;6.08,-17.07,;4.54,-17.07,;3.77,-15.74,;3.76,-18.41,;4.55,-19.73,;3.79,-21.07,;11.51,-23.69,;13.06,-23.69,;14.75,-26.3,;16.22,-25.81,;17.47,-26.71,)|
Show InChI InChI=1S/C30H27ClF2N2O4/c31-25-14-18(13-24(19-1-2-19)27(25)23-8-5-21(32)15-26(23)33)16-34-11-9-30(10-12-34)17-35(29(38)39-30)22-6-3-20(4-7-22)28(36)37/h3-8,13-15,19H,1-2,9-12,16-17H2,(H,36,37)
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n/an/a 0.400n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123250
PNG
(US8742110, 4-14)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)nc1
Show InChI InChI=1S/C29H30FN3O5/c1-3-37-25-15-22(24(14-19(25)2)21-6-9-26(30)31-16-21)17-32-12-10-29(11-13-32)18-33(28(36)38-29)23-7-4-20(5-8-23)27(34)35/h4-9,14-16H,3,10-13,17-18H2,1-2H3,(H,34,35)
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n/an/a 0.407n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123243
PNG
(US8742110, 4-7)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H29F3N2O5/c1-3-39-25-15-20(23(14-18(25)2)22-8-9-24(31)27(33)26(22)32)16-34-12-10-30(11-13-34)17-35(29(38)40-30)21-6-4-19(5-7-21)28(36)37/h4-9,14-15H,3,10-13,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.409n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)		BDBM50362417
PNG
(CHEMBL1940545)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2ccc(F)cc2[nH]1 |r|
Show InChI InChI=1S/C33H38FN5O2S/c1-41-26-7-3-23(4-8-26)33(12-2-13-33)37-25-6-9-27(28(20-25)22-11-18-42-21-22)31(40)38-14-16-39(17-15-38)32-35-29-10-5-24(34)19-30(29)36-32/h3-5,7-8,10-11,18-19,21,25,27-28,37H,2,6,9,12-17,20H2,1H3,(H,35,36)/t25-,27+,28-/m1/s1
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n/an/a 0.420n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay

Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123179
PNG
(US8742110, 1-28)
Show SMILES CC(C)(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c(n1)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C28H30ClFN4O4/c1-27(2,3)34-16-20(24(31-34)19-6-9-23(30)22(29)14-19)15-32-12-10-28(11-13-32)17-33(26(37)38-28)21-7-4-18(5-8-21)25(35)36/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,35,36)
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n/an/a 0.421n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123272
PNG
(US8742110, 5-8)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)cc2cnc(cc12)C(F)(F)F
Show InChI InChI=1S/C27H26F3N3O5/c1-2-37-22-12-17(11-19-14-31-23(13-21(19)22)27(28,29)30)15-32-9-7-26(8-10-32)16-33(25(36)38-26)20-5-3-18(4-6-20)24(34)35/h3-6,11-14H,2,7-10,15-16H2,1H3,(H,34,35)
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n/an/a 0.424n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Neuropeptides B/W receptor type 1


(Mus musculus)		BDBM50362409
PNG
(CHEMBL1940543)
Show SMILES COc1ccc(cc1)C1(CCC1)N[C@@H]1CC[C@@H]([C@H](C1)c1ccsc1)C(=O)N1CCN(CC1)c1nc2cc(C)ccc2o1 |r|
Show InChI InChI=1S/C34H40N4O3S/c1-23-4-11-31-30(20-23)35-33(41-31)38-17-15-37(16-18-38)32(39)28-10-7-26(21-29(28)24-12-19-42-22-24)36-34(13-3-14-34)25-5-8-27(40-2)9-6-25/h4-6,8-9,11-12,19-20,22,26,28-29,36H,3,7,10,13-18,21H2,1-2H3/t26-,28+,29-/m1/s1
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n/an/a 0.430n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125]-hNPW23 from mouse NPBWR1 expressed in CHO-K1 cells membrane by scintillation proximity assay

Bioorg Med Chem Lett 22: 1014-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.126
BindingDB Entry DOI: 10.7270/Q2P84CB4
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123236
PNG
(US8742110, 3-21)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3F)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1
Show InChI InChI=1S/C31H32F2N2O6/c1-3-39-26-15-20(16-27(40-4-2)28(26)21-5-8-23(32)9-6-21)18-34-13-11-31(12-14-34)19-35(30(38)41-31)25-10-7-22(29(36)37)17-24(25)33/h5-10,15-17H,3-4,11-14,18-19H2,1-2H3,(H,36,37)
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n/an/a 0.437n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123245
PNG
(US8742110, 4-9)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3cc(ccc3-c3ccc(F)c(F)c3F)C(F)(F)F)CC2)OC1=O
Show InChI InChI=1S/C28H22F6N2O4/c29-22-8-7-21(23(30)24(22)31)20-6-3-18(28(32,33)34)13-17(20)14-35-11-9-27(10-12-35)15-36(26(39)40-27)19-4-1-16(2-5-19)25(37)38/h1-8,13H,9-12,14-15H2,(H,37,38)
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n/an/a 0.439n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of binding of the compound to GnRH receptor in human

J Med Chem 44: 917-22 (2001)


BindingDB Entry DOI: 10.7270/Q2H70F3D
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123258
PNG
(US8742110, 4-22)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3Cl)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H28ClF3N2O5/c1-3-40-25-14-19(21(12-17(25)2)20-5-6-23(32)27(34)26(20)33)15-35-10-8-30(9-11-35)16-36(29(39)41-30)24-7-4-18(28(37)38)13-22(24)31/h4-7,12-14H,3,8-11,15-16H2,1-2H3,(H,37,38)
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n/an/a 0.468n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123244
PNG
(US8742110, 4-8)
Show SMILES CCOc1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3C)C(O)=O)CC2)c(cc1C)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C31H31F3N2O5/c1-4-40-26-15-21(23(14-19(26)3)22-6-7-24(32)28(34)27(22)33)16-35-11-9-31(10-12-35)17-36(30(39)41-31)25-8-5-20(29(37)38)13-18(25)2/h5-8,13-15H,4,9-12,16-17H2,1-3H3,(H,37,38)
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n/an/a 0.474n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123239
PNG
(US8742110, 4-3)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)cc1F
Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-10-24(25-9-5-21(30)16-26(25)31)20(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)
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n/an/a 0.490n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Gonadotropin-releasing hormone receptor


(Homo sapiens (Human))		BDBM50098391
PNG
((S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(...)
Show SMILES Cc1cc(cc(C)c1C)-c1c(OCC[C@@H]2CCN2)c2cc(C(=O)Nc3ccncn3)c(Cl)cc2[nH]c1=O |r|
Show InChI InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibition of gonadotropin-releasing hormone receptor in rhesus monkey

J Med Chem 44: 917-22 (2001)


BindingDB Entry DOI: 10.7270/Q2H70F3D
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Rattus norvegicus)		BDBM50373479
PNG
(CHEMBL254757)
Show SMILES CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@H]1CN(C[C@@H]1c1ccc(Cl)cc1Cl)C(C)(C)C
Show InChI InChI=1S/C31H40Cl3N3O2/c1-6-29(35-19(2)38)25-15-21(32)7-9-23(25)20-11-13-36(14-12-20)30(39)27-18-37(31(3,4)5)17-26(27)24-10-8-22(33)16-28(24)34/h7-10,15-16,20,26-27,29H,6,11-14,17-18H2,1-5H3,(H,35,38)/t26-,27+,29+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to rat MC4R

Bioorg Med Chem Lett 18: 3242-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.049
BindingDB Entry DOI: 10.7270/Q2W37X5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM50468160
PNG
(CHEMBL4293458)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2c(cccc12)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C32H30F3N3O4/c1-19(2)37-17-21(27-23(4-3-5-26(27)37)24-10-11-25(33)29(35)28(24)34)16-36-14-12-32(13-15-36)18-38(31(41)42-32)22-8-6-20(7-9-22)30(39)40/h3-11,17,19H,12-16,18H2,1-2H3,(H,39,40)
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n/an/a 0.5n/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibition of forskolin-induced cAMP accumulation preincubated for 15 mins fol...

ACS Med Chem Lett 9: 1088-1093 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00306
BindingDB Entry DOI: 10.7270/Q2V127H3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123240
PNG
(US8742110, 4-4)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C29H28F2N2O5/c1-2-37-23-8-9-24(20-5-10-25(30)26(31)16-20)21(15-23)17-32-13-11-29(12-14-32)18-33(28(36)38-29)22-6-3-19(4-7-22)27(34)35/h3-10,15-16H,2,11-14,17-18H2,1H3,(H,34,35)
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n/an/a 0.502n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123242
PNG
(US8742110, 4-6)
Show SMILES CC(C)Oc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C30H29F3N2O5/c1-18(2)39-22-7-8-23(24-9-10-25(31)27(33)26(24)32)20(15-22)16-34-13-11-30(12-14-34)17-35(29(38)40-30)21-5-3-19(4-6-21)28(36)37/h3-10,15,18H,11-14,16-17H2,1-2H3,(H,36,37)
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n/an/a 0.546n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123307
PNG
(US8742110, 6-25)
Show SMILES CC(C)n1cc(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c2cc(Br)ccc12
Show InChI InChI=1S/C26H28BrN3O4/c1-17(2)29-15-19(22-13-20(27)5-8-23(22)29)14-28-11-9-26(10-12-28)16-30(25(33)34-26)21-6-3-18(4-7-21)24(31)32/h3-8,13,15,17H,9-12,14,16H2,1-2H3,(H,31,32)
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n/an/a 0.550n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))		BDBM123241
PNG
(US8742110, 4-5)
Show SMILES CCOc1ccc(c(CN2CCC3(CN(C(=O)O3)c3ccc(cc3)C(O)=O)CC2)c1)-c1ccc(F)c(F)c1F
Show InChI InChI=1S/C29H27F3N2O5/c1-2-38-21-7-8-22(23-9-10-24(30)26(32)25(23)31)19(15-21)16-33-13-11-29(12-14-33)17-34(28(37)39-29)20-5-3-18(4-6-20)27(35)36/h3-10,15H,2,11-14,16-17H2,1H3,(H,35,36)
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n/an/a 0.556n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...

US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
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