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Compile Data Set for Download or QSAR

Found 343 hits with Last Name = 'rouber' and Initial = 'p'   
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 2


(Homo sapiens (Human))
BDBM50103430
PNG
(6-Amino-2-(3-(1H-indol-3-yl)-2-{[4-(2-oxo-2,3-dihy...)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C)c1c[nH]c2ccccc12
Show InChI InChI=1S/C35H47N7O5/c1-22(25-21-37-26-12-6-5-11-24(25)26)30(31(43)38-28(14-9-10-18-36)32(44)47-35(2,3)4)40-33(45)41-19-16-23(17-20-41)42-29-15-8-7-13-27(29)39-34(42)46/h5-8,11-13,15,21-23,28,30,37H,9-10,14,16-20,36H2,1-4H3,(H,38,43)(H,39,46)(H,40,45)/t22-,28-,30+/m0/s1
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0.0100n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing each of the cloned human SRIF receptor (sst-2) subtypes


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.0490n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of human sst2 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 991-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D50NHN
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.0830n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of human sst5 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 991-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D50NHN
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.140n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of human sst3 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 991-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D50NHN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.260n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Binding affinity against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of human sst1 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 991-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D50NHN
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50169465
PNG
(3-[4-(4-Amino-butyl)-5-quinolin-2-yl-4H-[1,2,4]tri...)
Show SMILES Cc1cccc2c(c[nH]c12)C(=O)CCSc1nnc(-c2ccc3ccccc3n2)n1CCCCN
Show InChI InChI=1S/C27H28N6OS/c1-18-7-6-9-20-21(17-29-25(18)20)24(34)13-16-35-27-32-31-26(33(27)15-5-4-14-28)23-12-11-19-8-2-3-10-22(19)30-23/h2-3,6-12,17,29H,4-5,13-16,28H2,1H3
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0.380n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM81767
PNG
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r|
Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of human sst4 receptor expressed in CHO cells


Bioorg Med Chem Lett 11: 991-5 (2001)


BindingDB Entry DOI: 10.7270/Q2D50NHN
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50369890
PNG
(CHEMBL1237140 | CHEMBL1788167)
Show SMILES CCCCC1(CCCC)N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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0.790n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215802
PNG
(CHEMBL233559 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H49N5O3/c1-25(2)16-22-38(23-17-26(3)4)32(40)28-12-15-30-31(24-28)39(21-9-20-37-18-7-6-8-19-37)34(36-30)35-29-13-10-27(11-14-29)33(41)42-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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0.890n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215802
PNG
(CHEMBL233559 | methyl 4-(6-(diisopentylcarbamoyl)-...)
Show SMILES COC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H49N5O3/c1-25(2)16-22-38(23-17-26(3)4)32(40)28-12-15-30-31(24-28)39(21-9-20-37-18-7-6-8-19-37)34(36-30)35-29-13-10-27(11-14-29)33(41)42-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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0.890n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50103414
PNG
(1-Cyclohexyl-1-methyl-3-(4-phenyl-1H-imidazol-2-yl...)
Show SMILES CC1(NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1)C1CCCCC1
Show InChI InChI=1S/C27H30N4/c1-27(19-12-6-3-7-13-19)25-21(20-14-8-9-15-22(20)29-25)16-23(31-27)26-28-17-24(30-26)18-10-4-2-5-11-18/h2,4-5,8-11,14-15,17,19,23,29,31H,3,6-7,12-13,16H2,1H3,(H,28,30)
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0.900n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50103417
PNG
(1,1-Dipentyl-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9...)
Show SMILES CCCCCC1(CCCCC)NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C30H38N4/c1-3-5-12-18-30(19-13-6-4-2)28-24(23-16-10-11-17-25(23)32-28)20-26(34-30)29-31-21-27(33-29)22-14-8-7-9-15-22/h7-11,14-17,21,26,32,34H,3-6,12-13,18-20H2,1-2H3,(H,31,33)
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0.920n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215807
PNG
(CHEMBL392092 | N,N-diisopentyl-2-(4-methoxybenzoyl...)
Show SMILES COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215807
PNG
(CHEMBL392092 | N,N-diisopentyl-2-(4-methoxybenzoyl...)
Show SMILES COc1ccc(cc1)C(=O)c1nc2ccc(cc2n1CCCN1CCCCC1)C(=O)N(CCC(C)C)CCC(C)C
Show InChI InChI=1S/C34H48N4O3/c1-25(2)16-22-37(23-17-26(3)4)34(40)28-12-15-30-31(24-28)38(21-9-20-36-18-7-6-8-19-36)33(35-30)32(39)27-10-13-29(41-5)14-11-27/h10-15,24-26H,6-9,16-23H2,1-5H3
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0.950n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215841
PNG
(2-(4-benzoylphenylamino)-N,N-diisopentyl-3-(3-(pip...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(=O)c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C39H51N5O2/c1-29(2)20-26-43(27-21-30(3)4)38(46)33-16-19-35-36(28-33)44(25-11-24-42-22-9-6-10-23-42)39(41-35)40-34-17-14-32(15-18-34)37(45)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,40,41)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50369893
PNG
(CHEMBL1201959)
Show SMILES C1CCC(CC1)C1NC(Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C26H28N4/c1-3-9-17(10-4-1)23-16-27-26(30-23)22-15-20-19-13-7-8-14-21(19)28-25(20)24(29-22)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18,22,24,28-29H,2,5-6,11-12,15H2,(H,27,30)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50169468
PNG
(4-{3-[2-(6-Fluoro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25FN6S/c26-19-8-9-20-18(16-28-23(20)15-19)11-14-33-25-31-30-24(32(25)13-4-3-12-27)22-10-7-17-5-1-2-6-21(17)29-22/h1-2,5-10,15-16,28H,3-4,11-14,27H2
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215841
PNG
(2-(4-benzoylphenylamino)-N,N-diisopentyl-3-(3-(pip...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(=O)c3ccccc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C39H51N5O2/c1-29(2)20-26-43(27-21-30(3)4)38(46)33-16-19-35-36(28-33)44(25-11-24-42-22-9-6-10-23-42)39(41-35)40-34-17-14-32(15-18-34)37(45)31-12-7-5-8-13-31/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,40,41)
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1.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50169462
PNG
(4-{3-[2-(7-Methyl-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12
Show InChI InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3
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1.80n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215816
PNG
(2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)16-22-38(23-17-26(3)4)33(41)29-12-15-31-32(24-29)39(21-9-20-37-18-7-6-8-19-37)34(36-31)35-30-13-10-28(11-14-30)27(5)40/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,36)
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1.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215844
PNG
(CHEMBL232161 | N,N-diisopentyl-2-(4-phenoxyphenyla...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O2/c1-29(2)20-26-42(27-21-30(3)4)37(44)31-14-19-35-36(28-31)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-32-15-17-34(18-16-32)45-33-12-7-5-8-13-33/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215844
PNG
(CHEMBL232161 | N,N-diisopentyl-2-(4-phenoxyphenyla...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(Oc4ccccc4)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C38H51N5O2/c1-29(2)20-26-42(27-21-30(3)4)37(44)31-14-19-35-36(28-31)43(25-11-24-41-22-9-6-10-23-41)38(40-35)39-32-15-17-34(18-16-32)45-33-12-7-5-8-13-33/h5,7-8,12-19,28-30H,6,9-11,20-27H2,1-4H3,(H,39,40)
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50169465
PNG
(3-[4-(4-Amino-butyl)-5-quinolin-2-yl-4H-[1,2,4]tri...)
Show SMILES Cc1cccc2c(c[nH]c12)C(=O)CCSc1nnc(-c2ccc3ccccc3n2)n1CCCCN
Show InChI InChI=1S/C27H28N6OS/c1-18-7-6-9-20-21(17-29-25(18)20)24(34)13-16-35-27-32-31-26(33(27)15-5-4-14-28)23-12-11-19-8-2-3-10-22(19)30-23/h2-3,6-12,17,29H,4-5,13-16,28H2,1H3
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2n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215813
PNG
(CHEMBL395226 | N,N-diisopentyl-2-(4-nitrophenylami...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)[N+]([O-])=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46N6O3/c1-24(2)15-21-36(22-16-25(3)4)31(39)26-9-14-29-30(23-26)37(20-8-19-35-17-6-5-7-18-35)32(34-29)33-27-10-12-28(13-11-27)38(40)41/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,33,34)
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50169462
PNG
(4-{3-[2-(7-Methyl-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES Cc1cccc2c(CCSc3nnc(-c4ccc5ccccc5n4)n3CCCCN)c[nH]c12
Show InChI InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215813
PNG
(CHEMBL395226 | N,N-diisopentyl-2-(4-nitrophenylami...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(cc3)[N+]([O-])=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C32H46N6O3/c1-24(2)15-21-36(22-16-25(3)4)31(39)26-9-14-29-30(23-26)37(20-8-19-35-17-6-5-7-18-35)32(34-29)33-27-10-12-28(13-11-27)38(40)41/h9-14,23-25H,5-8,15-22H2,1-4H3,(H,33,34)
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2.10n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50169467
PNG
(4-{3-[2-(5-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3ccc(Cl)cc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-19-8-10-22-20(15-19)18(16-28-22)11-14-33-25-31-30-24(32(25)13-4-3-12-27)23-9-7-17-5-1-2-6-21(17)29-23/h1-2,5-10,15-16,28H,3-4,11-14,27H2
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2.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst5 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215836
PNG
(CHEMBL233757 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CCC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C35H51N5O2/c1-6-33(41)28-11-14-30(15-12-28)36-35-37-31-16-13-29(34(42)39(23-17-26(2)3)24-18-27(4)5)25-32(31)40(35)22-10-21-38-19-8-7-9-20-38/h11-16,25-27H,6-10,17-24H2,1-5H3,(H,36,37)
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215836
PNG
(CHEMBL233757 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CCC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C35H51N5O2/c1-6-33(41)28-11-14-30(15-12-28)36-35-37-31-16-13-29(34(42)39(23-17-26(2)3)24-18-27(4)5)25-32(31)40(35)22-10-21-38-19-8-7-9-20-38/h11-16,25-27H,6-10,17-24H2,1-5H3,(H,36,37)
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50169468
PNG
(4-{3-[2-(6-Fluoro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3cc(F)ccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25FN6S/c26-19-8-9-20-18(16-28-23(20)15-19)11-14-33-25-31-30-24(32(25)13-4-3-12-27)22-10-7-17-5-1-2-6-21(17)29-22/h1-2,5-10,15-16,28H,3-4,11-14,27H2
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2.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
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3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215820
PNG
(2-(benzo[b]thiophen-2-yl)-N,N-diisopentyl-3-(3-(pi...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cc4ccccc4s3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H46N4OS/c1-25(2)15-21-37(22-16-26(3)4)34(39)28-13-14-29-30(23-28)38(20-10-19-36-17-8-5-9-18-36)33(35-29)32-24-27-11-6-7-12-31(27)40-32/h6-7,11-14,23-26H,5,8-10,15-22H2,1-4H3
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3n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215801
PNG
(CHEMBL391664 | N,N-diisopentyl-2-(1-methyl-1H-indo...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H49N5O/c1-26(2)16-22-39(23-17-27(3)4)35(41)28-14-15-31-33(24-28)40(21-11-20-38-18-9-6-10-19-38)34(36-31)30-25-37(5)32-13-8-7-12-29(30)32/h7-8,12-15,24-27H,6,9-11,16-23H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215801
PNG
(CHEMBL391664 | N,N-diisopentyl-2-(1-methyl-1H-indo...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(-c3cn(C)c4ccccc34)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H49N5O/c1-26(2)16-22-39(23-17-27(3)4)35(41)28-14-15-31-33(24-28)40(21-11-20-38-18-9-6-10-19-38)34(36-31)30-25-37(5)32-13-8-7-12-29(30)32/h7-8,12-15,24-27H,6,9-11,16-23H2,1-5H3
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3.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215828
PNG
(CHEMBL233758 | N,N-diisopentyl-2-(4-(methylcarbamo...)
Show SMILES CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215828
PNG
(CHEMBL233758 | N,N-diisopentyl-2-(4-(methylcarbamo...)
Show SMILES CNC(=O)c1ccc(Nc2nc3ccc(cc3n2CCCN2CCCCC2)C(=O)N(CCC(C)C)CCC(C)C)cc1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-12-15-30-31(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-30)36-29-13-10-27(11-14-29)32(41)35-5/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.30n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50369890
PNG
(CHEMBL1237140 | CHEMBL1788167)
Show SMILES CCCCC1(CCCC)N[C@@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1 |r|
Show InChI InChI=1S/C28H34N4/c1-3-5-16-28(17-6-4-2)26-22(21-14-10-11-15-23(21)30-26)18-24(32-28)27-29-19-25(31-27)20-12-8-7-9-13-20/h7-15,19,24,30,32H,3-6,16-18H2,1-2H3,(H,29,31)/t24-/m0/s1
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3.40n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50103421
PNG
(1,1-Dibutyl-6-chloro-3-(4-phenyl-1H-imidazol-2-yl)...)
Show SMILES CCCCC1(CCCC)NC(Cc2c1[nH]c1ccc(Cl)cc21)c1nc(c[nH]1)-c1ccccc1
Show InChI InChI=1S/C28H33ClN4/c1-3-5-14-28(15-6-4-2)26-22(21-16-20(29)12-13-23(21)31-26)17-24(33-28)27-30-18-25(32-27)19-10-8-7-9-11-19/h7-13,16,18,24,31,33H,3-6,14-15,17H2,1-2H3,(H,30,32)
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3.40n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-3) subtype


J Med Chem 44: 2990-3000 (2001)


BindingDB Entry DOI: 10.7270/Q2DB82JT
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215812
PNG
(2-(4-acetamidophenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(NC(C)=O)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-10-15-31-32(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-31)36-30-13-11-29(12-14-30)35-27(5)41/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215812
PNG
(2-(4-acetamidophenylamino)-N,N-diisopentyl-3-(3-(p...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccc(NC(C)=O)cc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H50N6O2/c1-25(2)16-22-39(23-17-26(3)4)33(42)28-10-15-31-32(24-28)40(21-9-20-38-18-7-6-8-19-38)34(37-31)36-30-13-11-29(12-14-30)35-27(5)41/h10-15,24-26H,6-9,16-23H2,1-5H3,(H,35,41)(H,36,37)
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3.70n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215800
PNG
(2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215800
PNG
(2-(4-acetylbenzyl)-N,N-diisopentyl-3-(3-(piperidin...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Cc3ccc(cc3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C35H50N4O2/c1-26(2)16-22-38(23-17-27(3)4)35(41)31-14-15-32-33(25-31)39(21-9-20-37-18-7-6-8-19-37)34(36-32)24-29-10-12-30(13-11-29)28(5)40/h10-15,25-27H,6-9,16-24H2,1-5H3
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3.90n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50169471
PNG
(4-{3-[2-(7-Chloro-1H-indol-3-yl)-ethylsulfanyl]-5-...)
Show SMILES NCCCCn1c(SCCc2c[nH]c3c(Cl)cccc23)nnc1-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H25ClN6S/c26-20-8-5-7-19-18(16-28-23(19)20)12-15-33-25-31-30-24(32(25)14-4-3-13-27)22-11-10-17-6-1-2-9-21(17)29-22/h1-2,5-11,16,28H,3-4,12-15,27H2
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4n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Inhibitory constant against human sst2 receptor at a dose of 10 uM


Bioorg Med Chem Lett 15: 3555-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.061
BindingDB Entry DOI: 10.7270/Q2W66MH6
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215823
PNG
(CHEMBL232584 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C31H46N6O/c1-24(2)13-20-36(21-14-25(3)4)30(38)26-11-12-28-29(22-26)37(19-9-18-35-16-6-5-7-17-35)31(34-28)33-27-10-8-15-32-23-27/h8,10-12,15,22-25H,5-7,9,13-14,16-21H2,1-4H3,(H,33,34)
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4.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215823
PNG
(CHEMBL232584 | N,N-diisopentyl-3-(3-(piperidin-1-y...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccnc3)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C31H46N6O/c1-24(2)13-20-36(21-14-25(3)4)30(38)26-11-12-28-29(22-26)37(19-9-18-35-16-6-5-7-17-35)31(34-28)33-27-10-8-15-32-23-27/h8,10-12,15,22-25H,5-7,9,13-14,16-21H2,1-4H3,(H,33,34)
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4.20n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM50215846
PNG
(2-(3-acetylphenylamino)-N,N-diisopentyl-3-(3-(pipe...)
Show SMILES CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3cccc(c3)C(C)=O)n(CCCN3CCCCC3)c2c1
Show InChI InChI=1S/C34H49N5O2/c1-25(2)15-21-38(22-16-26(3)4)33(41)29-13-14-31-32(24-29)39(20-10-19-37-17-7-6-8-18-37)34(36-31)35-30-12-9-11-28(23-30)27(5)40/h9,11-14,23-26H,6-8,10,15-22H2,1-5H3,(H,35,36)
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4.5n/an/an/an/an/an/an/an/a



Institut Henri Beaufour

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells


Bioorg Med Chem Lett 17: 4464-70 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.010
BindingDB Entry DOI: 10.7270/Q24T6J2X
More data for this
Ligand-Target Pair
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