Found 251 hits with Last Name = 'humphrey' and Initial = 'pp' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Somatostatin receptor type 2
(RAT) | BDBM81767
(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 | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM81767
(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 | PDB
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UniChem
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PubMed
| 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(RAT) | BDBM81767
(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 | PDB
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PC cid
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UniChem
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PubMed
| 0.0680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM81767
(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 | Reactome pathway
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UniChem
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| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM81767
(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 | KEGG
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM81767
(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 | Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388692
(CHEMBL2059582)Show SMILES COC[C@@H]1CCCN1CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:13:14:20.19.21:16.17| Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-28-13-7-6-12-27(28)29(32-35)30(36)31-23-19-24-14-15-25(20-23)34(24)18-9-5-4-8-16-33-17-10-11-26(33)21-37-3/h6-7,12-13,22-26H,4-5,8-11,14-21H2,1-3H3,(H,31,36)/t23-,24+,25-,26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388691
(CHEMBL2059580)Show SMILES CC(C)N(C)CCCCCCN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:10:11:17.16.18:13.14| Show InChI InChI=1S/C28H45N5O/c1-20(2)31(5)16-10-6-7-11-17-32-23-14-15-24(32)19-22(18-23)29-28(34)27-25-12-8-9-13-26(25)33(30-27)21(3)4/h8-9,12-13,20-24H,6-7,10-11,14-19H2,1-5H3,(H,29,34)/t22-,23+,24- | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388689
(CHEMBL2059578)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H45N5O/c1-22(2)34-27-13-7-6-12-26(27)28(31-34)29(35)30-23-20-24-14-15-25(21-23)33(24)19-11-4-3-8-16-32-17-9-5-10-18-32/h6-7,12-13,22-25H,3-5,8-11,14-21H2,1-2H3,(H,30,35)/t23-,24+,25- | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM81767
(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 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414717
(CHEMBL552484)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN(C)CCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C32H46ClN5O2/c1-37(18-13-24-23-35-30-12-8-7-11-26(24)30)16-9-5-3-4-6-10-17-38-19-14-25(15-20-38)36-32(39)27-21-28(33)29(34)22-31(27)40-2/h7-8,11-12,21-23,25,35H,3-6,9-10,13-20,34H2,1-2H3,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
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| Article
PubMed
| 1.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414716
(CHEMBL561278)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN(C)CCc2c[nH]c3ccccc23)CC1 Show InChI InChI=1S/C29H40ClN5O2/c1-34(15-10-21-20-32-27-9-5-4-8-23(21)27)13-6-3-7-14-35-16-11-22(12-17-35)33-29(36)24-18-25(30)26(31)19-28(24)37-2/h4-5,8-9,18-20,22,32H,3,6-7,10-17,31H2,1-2H3,(H,33,36) | PDB
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388701
(CHEMBL2059584)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C31H50N6O3S/c1-23(2)37-29-11-7-6-10-28(29)30(34-37)31(38)33-25-20-26-12-13-27(21-25)36(26)17-9-5-4-8-16-35-18-14-24(15-19-35)22-32-41(3,39)40/h6-7,10-11,23-27,32H,4-5,8-9,12-22H2,1-3H3,(H,33,38)/t25-,26+,27- | PDB
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| 1.58 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388700
(CHEMBL2059577)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCCCC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H39N5O2/c1-18(2)31-24-9-5-4-8-23(24)25(28-31)26(33)27-19-14-20-10-11-21(15-19)30(20)17-22(32)16-29-12-6-3-7-13-29/h4-5,8-9,18-22,32H,3,6-7,10-17H2,1-2H3,(H,27,33)/t19-,20+,21-,22? | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414728
(CHEMBL559322)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCOCC1 |r| Show InChI InChI=1S/C31H46N4O3/c1-23(2)35-29-11-7-6-10-24(29)20-28(31(35)37)30(36)32-25-21-26-12-13-27(22-25)34(26)15-9-5-3-4-8-14-33-16-18-38-19-17-33/h6-7,10-11,20,23,25-27H,3-5,8-9,12-19,21-22H2,1-2H3,(H,32,36)/t25-,26+,27- | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414722
(CHEMBL539713)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C32H47N5O3/c1-22(2)37-28-12-7-6-11-23(28)19-27(32(37)40)31(39)34-24-20-25-14-15-26(21-24)36(25)18-9-5-3-4-8-16-35-17-10-13-29(35)30(33)38/h6-7,11-12,19,22,24-26,29H,3-5,8-10,13-18,20-21H2,1-2H3,(H2,33,38)(H,34,39)/t24-,25+,26-,29-/m0/s1 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388697
(CHEMBL2059588)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m0/s1 | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414736
(CHEMBL540981)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCC(CNS(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C34H53N5O4S/c1-25(2)39-32-12-8-7-11-27(32)21-31(34(39)41)33(40)36-28-22-29-13-14-30(23-28)38(29)18-10-6-4-5-9-17-37-19-15-26(16-20-37)24-35-44(3,42)43/h7-8,11-12,21,25-26,28-30,35H,4-6,9-10,13-20,22-24H2,1-3H3,(H,36,40)/t28-,29+,30- | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414734
(CHEMBL551013)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCCCC1 |r| Show InChI InChI=1S/C32H48N4O2/c1-24(2)36-30-14-8-7-13-25(30)21-29(32(36)38)31(37)33-26-22-27-15-16-28(23-26)35(27)20-12-5-3-4-9-17-34-18-10-6-11-19-34/h7-8,13-14,21,24,26-28H,3-6,9-12,15-20,22-23H2,1-2H3,(H,33,37)/t26-,27+,28- | PDB
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PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388695
(CHEMBL2059586)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C29H46N6O3S/c1-22(2)35-27-11-7-6-10-26(27)28(31-35)29(36)30-23-20-24-12-13-25(21-23)34(24)15-9-5-4-8-14-32-16-18-33(19-17-32)39(3,37)38/h6-7,10-11,22-25H,4-5,8-9,12-21H2,1-3H3,(H,30,36)/t23-,24+,25- | PDB
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PubMed
| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388693
(CHEMBL2059583)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCC(CNS(C)(=O)=O)CC2)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C28H44N6O4S/c1-19(2)34-26-7-5-4-6-25(26)27(31-34)28(36)30-21-14-22-8-9-23(15-21)33(22)18-24(35)17-32-12-10-20(11-13-32)16-29-39(3,37)38/h4-7,19-24,29,35H,8-18H2,1-3H3,(H,30,36)/t21-,22+,23-,24? | PDB
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| 2.51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM85671
(CAS_183658-72-2 | CYN 154806 | CYN-154806)Show SMILES C[C@@H](O)[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](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O |r| Show InChI InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1 | PDB
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| 2.63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414705
(CHEMBL562636)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2CCCCC2)CC1 Show InChI InChI=1S/C26H43ClN4O2/c1-33-25-20-24(28)23(27)19-22(25)26(32)29-21-11-17-31(18-12-21)16-8-5-3-2-4-7-13-30-14-9-6-10-15-30/h19-21H,2-18,28H2,1H3,(H,29,32) | PDB
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PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414708
(CHEMBL538706)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN1CCCCC1 |r| Show InChI InChI=1S/C33H50N4O2/c1-25(2)37-31-15-9-8-14-26(31)22-30(33(37)39)32(38)34-27-23-28-16-17-29(24-27)36(28)21-13-6-4-3-5-10-18-35-19-11-7-12-20-35/h8-9,14-15,22,25,27-29H,3-7,10-13,16-21,23-24H2,1-2H3,(H,34,38)/t28-,29-/m1/s1 | PDB
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| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414720
(CHEMBL555210)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCCN(C)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C39H53N5O2/c1-28(2)44-37-17-11-8-14-29(37)24-35(39(44)46)38(45)41-31-25-32-18-19-33(26-31)43(32)22-13-7-5-4-6-12-21-42(3)23-20-30-27-40-36-16-10-9-15-34(30)36/h8-11,14-17,24,27-28,31-33,40H,4-7,12-13,18-23,25-26H2,1-3H3,(H,41,45)/t31-,32+,33- | PDB
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PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414719
(CHEMBL558163)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN(C)CCc1c[nH]c2ccccc12 |r| Show InChI InChI=1S/C36H47N5O2/c1-25(2)41-34-14-8-5-11-26(34)21-32(36(41)43)35(42)38-28-22-29-15-16-30(23-28)40(29)19-10-4-9-18-39(3)20-17-27-24-37-33-13-7-6-12-31(27)33/h5-8,11-14,21,24-25,28-30,37H,4,9-10,15-20,22-23H2,1-3H3,(H,38,42)/t28-,29+,30- | PDB
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PubMed
| 3.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414732
(CHEMBL539651)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C37H51N5O2/c1-28(2)42-35-16-10-9-13-29(35)25-34(37(42)44)36(43)38-30-26-32-17-18-33(27-30)41(32)20-12-5-3-4-11-19-39-21-23-40(24-22-39)31-14-7-6-8-15-31/h6-10,13-16,25,28,30,32-33H,3-5,11-12,17-24,26-27H2,1-2H3,(H,38,43)/t30-,32+,33- | PDB
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PubMed
| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50240618
((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...)Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21) | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4c receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 6048-52 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.051
BindingDB Entry DOI: 10.7270/Q2X63P1X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388699
(CHEMBL2059581)Show SMILES COC[C@@H]1CCCN1CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:11:12:18.17.19:14.15| Show InChI InChI=1S/C27H41N5O3/c1-18(2)32-25-9-5-4-8-24(25)26(29-32)27(34)28-19-13-20-10-11-21(14-19)31(20)16-23(33)15-30-12-6-7-22(30)17-35-3/h4-5,8-9,18-23,33H,6-7,10-17H2,1-3H3,(H,28,34)/t19-,20+,21-,22-,23?/m0/s1 | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388694
(CHEMBL2059585)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CC(O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22? | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50240618
((2E)-2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pent...)Show SMILES CCCCCNC(N)=NN=Cc1c[nH]c2ccc(OC)cc12 |w:8.8,10.10| Show InChI InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21) | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388690
(CHEMBL2059579)Show SMILES CC(C)N(C)CC(O)CN1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1nn(C(C)C)c2ccccc12 |r,THB:8:9:15.14.16:11.12| Show InChI InChI=1S/C25H39N5O2/c1-16(2)28(5)14-21(31)15-29-19-10-11-20(29)13-18(12-19)26-25(32)24-22-8-6-7-9-23(22)30(27-24)17(3)4/h6-9,16-21,31H,10-15H2,1-5H3,(H,26,32)/t18-,19+,20-,21? | PDB
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| 3.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(RAT) | BDBM85671
(CAS_183658-72-2 | CYN 154806 | CYN-154806)Show SMILES C[C@@H](O)[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](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O |r| Show InChI InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1 | PDB
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| 4.47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414707
(CHEMBL558719)Show SMILES [H][C@@]12CC[C@]([H])(CC(C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCN1CCCCC1 |r| Show InChI InChI=1S/C30H44N4O2/c1-22(2)34-28-12-6-5-11-23(28)19-27(30(34)36)29(35)31-24-20-25-13-14-26(21-24)33(25)18-10-4-9-17-32-15-7-3-8-16-32/h5-6,11-12,19,22,24-26H,3-4,7-10,13-18,20-21H2,1-2H3,(H,31,35)/t25-,26-/m1/s1 | PDB
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| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414735
(CHEMBL555223)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCC(CNS(C)(=O)=O)CC1 |r| Show InChI InChI=1S/C30H45N5O4S/c1-21(2)35-28-8-5-4-7-23(28)17-27(30(35)37)29(36)32-24-18-25-9-10-26(19-24)34(25)14-6-13-33-15-11-22(12-16-33)20-31-40(3,38)39/h4-5,7-8,17,21-22,24-26,31H,6,9-16,18-20H2,1-3H3,(H,32,36)/t24-,25+,26- | PDB
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| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414730
(CHEMBL553404)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN(C)CCCN(C)S(C)(=O)=O |r| Show InChI InChI=1S/C33H53N5O4S/c1-25(2)38-31-15-10-9-14-26(31)22-30(33(38)40)32(39)34-27-23-28-16-17-29(24-27)37(28)21-12-8-6-7-11-18-35(3)19-13-20-36(4)43(5,41)42/h9-10,14-15,22,25,27-29H,6-8,11-13,16-21,23-24H2,1-5H3,(H,34,39)/t27-,28+,29- | PDB
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| 5.01 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414733
(CHEMBL561398)Show SMILES [H][C@]12CC[C@]([H])(C[C@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCCCC1 |r| Show InChI InChI=1S/C28H40N4O2/c1-20(2)32-26-10-5-4-9-21(26)17-25(28(32)34)27(33)29-22-18-23-11-12-24(19-22)31(23)16-8-15-30-13-6-3-7-14-30/h4-5,9-10,17,20,22-24H,3,6-8,11-16,18-19H2,1-2H3,(H,29,33)/t22-,23-,24+ | PDB
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| 6.31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(RAT) | BDBM85671
(CAS_183658-72-2 | CYN 154806 | CYN-154806)Show SMILES C[C@@H](O)[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](Cc1ccc(O)cc1)C(N)=O)NC(=O)[C@H](Cc1ccc(cc1)[N+]([O-])=O)NC(C)=O |r| Show InChI InChI=1S/C56H68N12O14S2/c1-30(69)48-56(80)66-47(54(78)62-42(49(58)73)23-33-12-18-37(71)19-13-33)29-84-83-28-46(65-51(75)43(60-31(2)70)24-32-10-16-36(17-11-32)68(81)82)55(79)63-44(25-34-14-20-38(72)21-15-34)52(76)64-45(26-35-27-59-40-8-4-3-7-39(35)40)53(77)61-41(50(74)67-48)9-5-6-22-57/h3-4,7-8,10-21,27,30,41-48,59,69,71-72H,5-6,9,22-26,28-29,57H2,1-2H3,(H2,58,73)(H,60,70)(H,61,77)(H,62,78)(H,63,79)(H,64,76)(H,65,75)(H,66,80)(H,67,74)/t30-,41+,42-,43+,44+,45-,46-,47+,48+/m1/s1 | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cambridge
Curated by PDSP Ki Database
| |
Neuropharmacology 39: 1443-50 (2000)
Article DOI: 10.1016/s0028-3908(00)00035-6
BindingDB Entry DOI: 10.7270/Q2QV3K2T |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388696
(CHEMBL2059587)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H](O)CN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H40N6O4S/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-19-14-20-8-9-21(15-19)31(20)17-22(33)16-29-10-12-30(13-11-29)37(3,35)36/h4-7,18-22,33H,8-17H2,1-3H3,(H,27,34)/t19-,20+,21-,22-/m1/s1 | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414731
(CHEMBL555222)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCN1CCN(CC1)c1ccccc1 |r| Show InChI InChI=1S/C33H43N5O2/c1-24(2)38-31-12-7-6-9-25(31)21-30(33(38)40)32(39)34-26-22-28-13-14-29(23-26)37(28)16-8-15-35-17-19-36(20-18-35)27-10-4-3-5-11-27/h3-7,9-12,21,24,26,28-29H,8,13-20,22-23H2,1-2H3,(H,34,39)/t26-,28+,29- | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414724
(CHEMBL538956)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)C(=O)OCC |r| Show InChI InChI=1S/C34H51N5O4/c1-4-43-34(42)37-20-18-36(19-21-37)16-10-6-5-7-11-17-38-28-14-15-29(38)24-27(23-28)35-32(40)30-22-26-12-8-9-13-31(26)39(25(2)3)33(30)41/h8-9,12-13,22,25,27-29H,4-7,10-11,14-21,23-24H2,1-3H3,(H,35,40)/t27-,28+,29- | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414669
(CHEMBL552796)Show InChI InChI=1S/C17H24N4O/c1-12(2)21-15-6-4-3-5-14(15)16(20-21)17(22)19-11-13-7-9-18-10-8-13/h3-6,12-13,18H,7-11H2,1-2H3,(H,19,22) | PDB
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| 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388698
(CHEMBL2059590)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22- | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414704
(CHEMBL562902)Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2CCCCC2)CC1 Show InChI InChI=1S/C23H37ClN4O2/c1-30-22-17-21(25)20(24)16-19(22)23(29)26-18-8-14-28(15-9-18)13-7-3-6-12-27-10-4-2-5-11-27/h16-18H,2-15,25H2,1H3,(H,26,29) | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50414726
(CHEMBL555693)Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)NC(=O)c1cc3ccccc3n(C(C)C)c1=O)N2CCCCCCCN1CCN(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C32H49N5O4S/c1-24(2)37-30-12-8-7-11-25(30)21-29(32(37)39)31(38)33-26-22-27-13-14-28(23-26)36(27)16-10-6-4-5-9-15-34-17-19-35(20-18-34)42(3,40)41/h7-8,11-12,21,24,26-28H,4-6,9-10,13-20,22-23H2,1-3H3,(H,33,38)/t26-,27+,28- | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388698
(CHEMBL2059590)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)C(C)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C26H38N6O2/c1-18(2)32-24-7-5-4-6-23(24)25(28-32)26(34)27-20-16-21-8-9-22(17-20)31(21)15-12-29-10-13-30(14-11-29)19(3)33/h4-7,18,20-22H,8-17H2,1-3H3,(H,27,34)/t20-,21+,22- | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4c receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 6048-52 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.051
BindingDB Entry DOI: 10.7270/Q2X63P1X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388687
(CHEMBL538635)Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19| Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1 | PDB
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| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388687
(CHEMBL538635)Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19| Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1 | PDB
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PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
J Med Chem 52: 5330-43 (2009)
Article DOI: 10.1021/jm900881j
BindingDB Entry DOI: 10.7270/Q2CF9RBH |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388687
(CHEMBL538635)Show SMILES CC(C)n1c2ccccc2cc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN2CCN(CC2)S(C)(=O)=O)c1=O |r,THB:23:22:15.21.16:18.19| Show InChI InChI=1S/C28H41N5O5S/c1-19(2)33-26-7-5-4-6-20(26)14-25(28(33)36)27(35)29-21-15-22-8-9-23(16-21)32(22)18-24(34)17-30-10-12-31(13-11-30)39(3,37)38/h4-7,14,19,21-24,34H,8-13,15-18H2,1-3H3,(H,29,35)/t21-,22+,23-,24-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4c receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 6048-52 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.051
BindingDB Entry DOI: 10.7270/Q2X63P1X |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50388702
(CHEMBL2059589)Show SMILES CC(C)n1nc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCN2CCN(CC2)S(C)(=O)=O)c2ccccc12 |r,THB:17:16:9.15.10:12.13| Show InChI InChI=1S/C25H38N6O3S/c1-18(2)31-23-7-5-4-6-22(23)24(27-31)25(32)26-19-16-20-8-9-21(17-19)30(20)15-12-28-10-13-29(14-11-28)35(3,33)34/h4-7,18-21H,8-17H2,1-3H3,(H,26,32)/t19-,20+,21- | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
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PubMed
| 12.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Theravance, Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4C receptor expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 4849-53 (2012)
Article DOI: 10.1016/j.bmcl.2012.05.034
BindingDB Entry DOI: 10.7270/Q20V8DVF |
More data for this
Ligand-Target Pair | |
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