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Compile Data Set for Download or QSAR

Found 1217 hits with Last Name = 'dong' and Initial = 'j'   
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))
BDBM85052
PNG
(BIM 23197 | BIM-23197)
Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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0.190n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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0.230n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206734
PNG
(CHEMBL3959570)
Show SMILES C(c1cccs1)c1cccc2N3CCNCC3CCc12
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0.316n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM85051
PNG
(BIM-23190)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCO)CC1
Show InChI InChI=1S/C57H79N13O12S2/c1-3-40-51(76)66-47(57(82)68-49(34(2)72)50(59)75)33-84-83-32-46(67-53(78)43(27-35-11-5-4-6-12-35)61-48(74)31-70-23-21-69(22-24-70)25-26-71)56(81)64-44(28-36-16-18-38(73)19-17-36)54(79)65-45(29-37-30-60-41-14-8-7-13-39(37)41)55(80)63-42(52(77)62-40)15-9-10-20-58/h4-8,11-14,16-19,30,34,40,42-47,49,60,71-73H,3,9-10,15,20-29,31-33,58H2,1-2H3,(H2,59,75)(H,61,74)(H,62,77)(H,63,80)(H,64,81)(H,65,79)(H,66,76)(H,67,78)(H,68,82)/t34-,40+,42+,43-,44+,45-,46+,47+,49+/m1/s1
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0.340n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50063839
PNG
(BIM 23268 | CHEMBL263606 | H-cyclo[DCys-Phe-Phe-DT...)
Show SMILES CC(O)[C@H]1NC(=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](N)CSSC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O
Show InChI InChI=1S/C54H67N11O9S2/c1-32(66)46-54(74)63-43(27-35-19-9-4-10-20-35)52(72)64-45(47(57)67)31-76-75-30-38(56)48(68)60-41(25-33-15-5-2-6-16-33)50(70)61-42(26-34-17-7-3-8-18-34)51(71)62-44(28-36-29-58-39-22-12-11-21-37(36)39)53(73)59-40(49(69)65-46)23-13-14-24-55/h2-12,15-22,29,32,38,40-46,58,66H,13-14,23-28,30-31,55-56H2,1H3,(H2,57,67)(H,59,73)(H,60,68)(H,61,70)(H,62,71)(H,63,74)(H,64,72)(H,65,69)/t32?,38-,40+,41-,42+,43+,44+,45-,46-/m1/s1
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0.370n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
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0.398n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82465
PNG
(BIM 23023 | BIM-23023 | D-Phe-L-Cys(1)-L-Tyr-D-Trp...)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27-,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1
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0.420n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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0.560n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
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0.631n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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0.75n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
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0.794n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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0.880n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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1.22n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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1.43n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206716
PNG
(CHEMBL3935339)
Show SMILES C(c1ccc2OCOc2c1)c1cccc2N3CCNCC3CCc12
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206714
PNG
(CHEMBL3919795)
Show SMILES C(c1ccccc1)c1cccc2N3CCNCC3CCc12
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1.60n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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1.77n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50019568
PNG
(Ala-Gly-c(Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-...)
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
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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2.26n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354607
PNG
(CHEMBL1834337)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1F)N1CC(CC)C=N1 |w:2.1,c:22|
Show InChI InChI=1S/C14H18ClFN4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)12-7-5-6-11(15)13(12)16/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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2.70n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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2.80n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354608
PNG
(CHEMBL1834342)
Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)s1)N1CC(CC)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C12H17ClN4O2S2/c1-3-9-7-15-17(8-9)12(14-4-2)16-21(18,19)11-6-5-10(13)20-11/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)
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4.10n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82465
PNG
(BIM 23023 | BIM-23023 | D-Phe-L-Cys(1)-L-Tyr-D-Trp...)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1
Show InChI InChI=1S/C49H65N11O10S2/c1-3-34-44(65)59-40(49(70)60-41(27(2)61)42(52)63)26-72-71-25-39(58-43(64)33(51)21-28-11-5-4-6-12-28)48(69)56-37(22-29-16-18-31(62)19-17-29)46(67)57-38(23-30-24-53-35-14-8-7-13-32(30)35)47(68)55-36(45(66)54-34)15-9-10-20-50/h4-8,11-14,16-19,24,27,33-34,36-41,53,61-62H,3,9-10,15,20-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,66)(H,55,68)(H,56,69)(H,57,67)(H,58,64)(H,59,65)(H,60,70)/t27-,33-,34+,36+,37+,38-,39+,40+,41+/m1/s1
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4.18n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354609
PNG
(CHEMBL1834348)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCCC2)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C17H23ClN4O2S/c1-2-19-16(21-25(23,24)15-8-6-7-14(18)11-15)22-13-17(12-20-22)9-4-3-5-10-17/h6-8,11-12H,2-5,9-10,13H2,1H3,(H,19,21)
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5.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82470
PNG
(3-(2-Naphtyl)-D-Ala-L-Cys(1)-L-Tyr-D-Trp-L-Lys-L-V...)
Show SMILES CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C54H69N11O10S2/c1-29(2)45-54(75)63-44(53(74)65-46(30(3)66)47(57)68)28-77-76-27-43(62-48(69)38(56)23-32-15-18-33-10-4-5-11-34(33)22-32)52(73)60-41(24-31-16-19-36(67)20-17-31)50(71)61-42(25-35-26-58-39-13-7-6-12-37(35)39)51(72)59-40(49(70)64-45)14-8-9-21-55/h4-7,10-13,15-20,22,26,29-30,38,40-46,58,66-67H,8-9,14,21,23-25,27-28,55-56H2,1-3H3,(H2,57,68)(H,59,72)(H,60,73)(H,61,71)(H,62,69)(H,63,75)(H,64,70)(H,65,74)/t30-,38-,40+,41+,42-,43+,44+,45+,46+/m1/s1
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5.20n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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5.59n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354610
PNG
(CHEMBL1834338)
Show SMILES CCN=C(NS(=O)(=O)c1cccc2ccccc12)N1CC(CC)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C18H22N4O2S/c1-3-14-12-20-22(13-14)18(19-4-2)21-25(23,24)17-11-7-9-15-8-5-6-10-16(15)17/h5-12,14H,3-4,13H2,1-2H3,(H,19,21)
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5.60n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206718
PNG
(CHEMBL3895972)
Show SMILES CC1(C)Cc2cccc(Cl)c2N2CCNCC12
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206725
PNG
(CHEMBL3947276)
Show SMILES CCCc1cccc2N3CCNCC3CCc12
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6.30n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor (unknown origin) expressed in HEK293 cells assessed as [3H]inositol phosphate accumulation after 2 hrs by scintil...


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354611
PNG
(CHEMBL1834347)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCCC2)C=N1 |w:2.1,c:24|
Show InChI InChI=1S/C16H21ClN4O2S/c1-2-18-15(21-12-16(11-19-21)8-3-4-9-16)20-24(22,23)14-7-5-6-13(17)10-14/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,18,20)
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6.40n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50059090
PNG
(10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...)
Show SMILES CC(O)[C@H](CO)NC(=O)[C@@H]1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@H](C(C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28?,29?,34?,36-,37-,38-,39+,40?,41+,42-/m1/s1
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7n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354612
PNG
(CHEMBL1834350)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC2(CCNCC2)C=N1 |w:2.1,c:25|
Show InChI InChI=1S/C16H22ClN5O2S/c1-2-19-15(21-25(23,24)14-5-3-4-13(17)10-14)22-12-16(11-20-22)6-8-18-9-7-16/h3-5,10-11,18H,2,6-9,12H2,1H3,(H,19,21)
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7.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50206724
PNG
(CHEMBL3912721)
Show SMILES C(C1CCC1)c1cccc2N3CCNCC3CCc12
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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7.90n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2C receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354585
PNG
(CHEMBL1834226)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:21|
Show InChI InChI=1S/C14H19ClN4O2S/c1-3-11-9-17-19(10-11)14(16-4-2)18-22(20,21)13-7-5-6-12(15)8-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354614
PNG
(CHEMBL1834341)
Show SMILES CCNC(=NS(=O)(=O)c1c(Cl)nc2sccn12)N1CC(CC)C=N1 |w:4.4,c:24|
Show InChI InChI=1S/C13H17ClN6O2S2/c1-3-9-7-16-20(8-9)12(15-4-2)18-24(21,22)11-10(14)17-13-19(11)5-6-23-13/h5-7,9H,3-4,8H2,1-2H3,(H,15,18)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354613
PNG
(CHEMBL1834333)
Show SMILES CCN=C(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)N1CC(CC)C=N1 |w:2.1,c:22|
Show InChI InChI=1S/C14H18Cl2N4O2S/c1-3-10-8-18-20(9-10)14(17-4-2)19-23(21,22)11-5-6-12(15)13(16)7-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
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7.90n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354615
PNG
(CHEMBL1834230)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(C)C=N1 |w:2.1,c:20|
Show InChI InChI=1S/C13H17ClN4O2S/c1-3-15-13(18-9-10(2)8-16-18)17-21(19,20)12-6-4-5-11(14)7-12/h4-8,10H,3,9H2,1-2H3,(H,15,17)
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8n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354616
PNG
(CHEMBL1834238)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CCC1c1ccco1 |w:2.1,c:17|
Show InChI InChI=1S/C16H17ClN4O3S/c1-2-18-16(20-25(22,23)13-6-3-5-12(17)11-13)21-14(8-9-19-21)15-7-4-10-24-15/h3-7,9-11,14H,2,8H2,1H3,(H,18,20)
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8.20n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354617
PNG
(CHEMBL1834340)
Show SMILES CCNC(=NS(=O)c1sc2ccc(Cl)cc2c1C)N1CC(CC)C=N1 |w:4.4,c:25|
Show InChI InChI=1S/C17H21ClN4OS2/c1-4-12-9-20-22(10-12)17(19-5-2)21-25(23)16-11(3)14-8-13(18)6-7-15(14)24-16/h6-9,12H,4-5,10H2,1-3H3,(H,19,21)
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8.5n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354618
PNG
(CHEMBL1834235)
Show SMILES CCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1N=CC[C@H]1c1ccccc1 |r,w:2.1,c:17|
Show InChI InChI=1S/C18H19ClN4O2S/c1-2-20-18(22-26(24,25)16-10-6-9-15(19)13-16)23-17(11-12-21-23)14-7-4-3-5-8-14/h3-10,12-13,17H,2,11H2,1H3,(H,20,22)/t17-/m0/s1
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9.30n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85052
PNG
(BIM 23197 | BIM-23197)
Show InChI InChI=1S/C57H81N13O13S3/c1-3-41-51(75)65-48(57(81)67-49(35(2)72)50(59)74)34-85-84-33-47(66-55(79)46(30-36-11-5-4-6-12-36)68-86(82,83)28-26-70-23-21-69(22-24-70)25-27-71)56(80)63-44(29-37-16-18-39(73)19-17-37)53(77)64-45(31-38-32-60-42-14-8-7-13-40(38)42)54(78)62-43(52(76)61-41)15-9-10-20-58/h4-8,11-14,16-19,32,35,41,43-49,60,68,71-73H,3,9-10,15,20-31,33-34,58H2,1-2H3,(H2,59,74)(H,61,76)(H,62,78)(H,63,80)(H,64,77)(H,65,75)(H,66,79)(H,67,81)/t35-,41+,43+,44+,45-,46-,47+,48+,49+/m1/s1
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9.80n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50001915
PNG
(1-(3-chlorophenyl)piperazine | CHEMBL478 | m-Chlor...)
Show SMILES Clc1cccc(c1)N1CCNCC1
Show InChI InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
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10n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85051
PNG
(BIM-23190)
Show SMILES CC[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(CCO)CC1
Show InChI InChI=1S/C57H79N13O12S2/c1-3-40-51(76)66-47(57(82)68-49(34(2)72)50(59)75)33-84-83-32-46(67-53(78)43(27-35-11-5-4-6-12-35)61-48(74)31-70-23-21-69(22-24-70)25-26-71)56(81)64-44(28-36-16-18-38(73)19-17-36)54(79)65-45(29-37-30-60-41-14-8-7-13-39(37)41)55(80)63-42(52(77)62-40)15-9-10-20-58/h4-8,11-14,16-19,30,34,40,42-47,49,60,71-73H,3,9-10,15,20-29,31-33,58H2,1-2H3,(H2,59,75)(H,61,74)(H,62,77)(H,63,80)(H,64,81)(H,65,79)(H,66,76)(H,67,78)(H,68,82)/t34-,40+,42+,43-,44+,45-,46+,47+,49+/m1/s1
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11.1n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM82253
PNG
(BIM 23052 | CAS_133073-82-2)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O |r|
Show InChI InChI=1S/C61H75N11O10/c1-37(73)52(54(64)75)71-60(81)50(34-42-25-13-6-14-26-42)70-61(82)53(38(2)74)72-56(77)47(29-17-18-30-62)66-59(80)51(35-43-36-65-46-28-16-15-27-44(43)46)69-58(79)49(33-41-23-11-5-12-24-41)68-57(78)48(32-40-21-9-4-10-22-40)67-55(76)45(63)31-39-19-7-3-8-20-39/h3-16,19-28,36-38,45,47-53,65,73-74H,17-18,29-35,62-63H2,1-2H3,(H2,64,75)(H,66,80)(H,67,76)(H,68,78)(H,69,79)(H,70,82)(H,71,81)(H,72,77)/t37-,38-,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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11.9n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82256
PNG
(BIM 23056 | CAS_150155-61-6 | D-Phe-Phe-Tyr-D-Trp-...)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(N)=O |r|
Show InChI InChI=1S/C71H81N11O9/c1-44(2)63(71(91)81-61(39-47-22-10-5-11-23-47)67(87)77-58(64(74)84)41-49-29-32-50-24-12-13-25-51(50)36-49)82-66(86)57(28-16-17-35-72)76-70(90)62(42-52-43-75-56-27-15-14-26-54(52)56)80-69(89)60(40-48-30-33-53(83)34-31-48)79-68(88)59(38-46-20-8-4-9-21-46)78-65(85)55(73)37-45-18-6-3-7-19-45/h3-15,18-27,29-34,36,43-44,55,57-63,75,83H,16-17,28,35,37-42,72-73H2,1-2H3,(H2,74,84)(H,76,90)(H,77,87)(H,78,85)(H,79,88)(H,80,89)(H,81,91)(H,82,86)/t55-,57+,58-,59+,60+,61+,62-,63+/m1/s1
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12.1n/an/an/an/an/an/an/an/a



Cedars-Sinai Research Institute

Curated by PDSP Ki Database




J Clin Invest 99: 789-98 (1997)


Article DOI: 10.1172/JCI119225
BindingDB Entry DOI: 10.7270/Q2H70DCK
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50206719
PNG
(CHEMBL3956394)
Show SMILES Fc1ccc2N3CCNCC3CCc2c1Cc1ccccc1
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13n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from recombinant human 5-HT2B receptor expressed in HEK293 cell membranes after 1 hr by scintillation counting


Bioorg Med Chem Lett 26: 5877-5882 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.016
BindingDB Entry DOI: 10.7270/Q29025R3
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (Human))
BDBM50354619
PNG
(CHEMBL1834227)
Show SMILES CCCN=C(NS(=O)(=O)c1cccc(Cl)c1)N1CC(CC)C=N1 |w:3.2,c:22|
Show InChI InChI=1S/C15H21ClN4O2S/c1-3-8-17-15(20-11-12(4-2)10-18-20)19-23(21,22)14-7-5-6-13(16)9-14/h5-7,9-10,12H,3-4,8,11H2,1-2H3,(H,17,19)
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14.6n/an/an/an/an/an/an/an/a



Abbott Healthcare Products B.V.

Curated by ChEMBL


Assay Description
Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting


J Med Chem 54: 7030-54 (2011)


Article DOI: 10.1021/jm200466r
BindingDB Entry DOI: 10.7270/Q2J103JB
More data for this
Ligand-Target Pair
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