Found 83 hits with Last Name = 'maina' and Initial = 't' 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 |
|---|
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370752
(CHEMBL1791384)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H85N17O10/c1-5-29(4)39(44(72)63-36(46(74)75)23-28(2)3)64-42(70)35(24-30-12-14-32(66)15-13-30)62-43(71)37-11-8-22-65(37)45(73)34(10-7-19-58-48(53)54)61-41(69)33(9-6-18-57-47(51)52)60-38(67)27-59-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,28-29,31,33-37,39,55-56,66H,5-11,16-27,49-50H2,1-4H3,(H,59,68)(H,60,67)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H,74,75)(H4,51,52,57)(H4,53,54,58)/t29-,33?,34-,35-,36-,37-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370753
(CHEMBL1791383)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31-,34?,36-,37-,38-,39-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370752
(CHEMBL1791384)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H85N17O10/c1-5-29(4)39(44(72)63-36(46(74)75)23-28(2)3)64-42(70)35(24-30-12-14-32(66)15-13-30)62-43(71)37-11-8-22-65(37)45(73)34(10-7-19-58-48(53)54)61-41(69)33(9-6-18-57-47(51)52)60-38(67)27-59-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,28-29,31,33-37,39,55-56,66H,5-11,16-27,49-50H2,1-4H3,(H,59,68)(H,60,67)(H,61,69)(H,62,71)(H,63,72)(H,64,70)(H,74,75)(H4,51,52,57)(H4,53,54,58)/t29-,33?,34-,35-,36-,37-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50333670
((3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36R)-21-...)Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSS[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N |r| Show InChI InChI=1S/C75H102N18O19S2/c1-40(78)62(99)81-37-59(98)82-57-39-113-114-74(75(111)112)93-70(107)56(38-94)90-73(110)61(42(3)96)92-69(106)53(33-45-23-11-6-12-24-45)89-72(109)60(41(2)95)91-64(101)50(28-16-18-30-77)83-67(104)54(34-46-36-80-48-26-14-13-25-47(46)48)87-66(103)52(32-44-21-9-5-10-22-44)85-65(102)51(31-43-19-7-4-8-20-43)86-68(105)55(35-58(79)97)88-63(100)49(84-71(57)108)27-15-17-29-76/h4-14,19-26,36,40-42,49-57,60-61,74,80,94-96H,15-18,27-35,37-39,76-78H2,1-3H3,(H2,79,97)(H,81,99)(H,82,98)(H,83,104)(H,84,108)(H,85,102)(H,86,105)(H,87,103)(H,88,100)(H,89,109)(H,90,110)(H,91,101)(H,92,106)(H,93,107)(H,111,112)/t40-,41+,42+,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-,74+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50370753
(CHEMBL1791383)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NCC(CCCCN)NC(=O)CNC(=O)C(CNCCN)CNCCN)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C48H87N15O9/c1-5-31(4)41(45(69)61-38(47(71)72)24-30(2)3)62-43(67)37(25-32-13-15-35(64)16-14-32)60-44(68)39-12-9-23-63(39)46(70)36(11-8-20-56-48(52)53)57-28-34(10-6-7-17-49)59-40(65)29-58-42(66)33(26-54-21-18-50)27-55-22-19-51/h13-16,30-31,33-34,36-39,41,54-55,57,64H,5-12,17-29,49-51H2,1-4H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t31-,34?,36-,37-,38-,39-,41-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50191594
(CHEMBL375002 | Demotensin 4)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])C([#6])([#6])[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H87N17O9/c1-29(2)23-36(45(73)74)63-43(71)39(48(3,4)5)64-41(69)35(24-30-12-14-33(66)15-13-30)62-42(70)37-11-8-22-65(37)44(72)34(10-7-19-58-47(53)54)59-27-32(9-6-18-57-46(51)52)61-38(67)28-60-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,29,31-32,34-37,39,55-56,59,66H,6-11,16-28,49-50H2,1-5H3,(H,60,68)(H,61,67)(H,62,70)(H,63,71)(H,64,69)(H,73,74)(H4,51,52,57)(H4,53,54,58)/t32?,34-,35-,36-,37-,39+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50130880
(CHEMBL407196 | NT(1-13) | neurotensin | pGlu-Leu-T...)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6](=O)-[#7]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C78H121N21O20/c1-7-43(6)63(73(115)96-57(76(118)119)37-42(4)5)97-70(112)55(39-45-21-25-47(101)26-22-45)95-72(114)59-18-13-35-99(59)75(117)52(16-11-33-86-78(83)84)90-64(106)48(15-10-32-85-77(81)82)89-71(113)58-17-12-34-98(58)74(116)51(14-8-9-31-79)91-69(111)56(40-60(80)102)94-66(108)50(28-30-62(104)105)88-68(110)54(38-44-19-23-46(100)24-20-44)93-67(109)53(36-41(2)3)92-65(107)49-27-29-61(103)87-49/h19-26,41-43,48-59,63,100-101H,7-18,27-40,79H2,1-6H3,(H2,80,102)(H,87,103)(H,88,110)(H,89,113)(H,90,106)(H,91,111)(H,92,107)(H,93,109)(H,94,108)(H,95,114)(H,96,115)(H,97,112)(H,104,105)(H,118,119)(H4,81,82,85)(H4,83,84,86)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,63-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50191591
(CHEMBL219862 | Demotensin 3)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])C([#6])([#6])[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H87N15O9/c1-30(2)24-37(46(71)72)61-44(69)40(48(3,4)5)62-42(67)36(25-31-13-15-34(64)16-14-31)60-43(68)38-12-9-23-63(38)45(70)35(11-8-20-56-47(52)53)57-28-33(10-6-7-17-49)59-39(65)29-58-41(66)32(26-54-21-18-50)27-55-22-19-51/h13-16,30,32-33,35-38,40,54-55,57,64H,6-12,17-29,49-51H2,1-5H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t33?,35-,36-,37-,38-,40+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.660 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in WiDr cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
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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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
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| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | PDB
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| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50191594
(CHEMBL375002 | Demotensin 4)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])C([#6])([#6])[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H87N17O9/c1-29(2)23-36(45(73)74)63-43(71)39(48(3,4)5)64-41(69)35(24-30-12-14-33(66)15-13-30)62-42(70)37-11-8-22-65(37)44(72)34(10-7-19-58-47(53)54)59-27-32(9-6-18-57-46(51)52)61-38(67)28-60-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,29,31-32,34-37,39,55-56,59,66H,6-11,16-28,49-50H2,1-5H3,(H,60,68)(H,61,67)(H,62,70)(H,63,71)(H,64,69)(H,73,74)(H4,51,52,57)(H4,53,54,58)/t32?,34-,35-,36-,37-,39+/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158701
(CHEMBL407101 | [Tyr4]Bombesin)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)/t38-,45-,46-,47?,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1 | PDB
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496015
(CHEMBL3122128)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | Reactome pathway
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496015
(CHEMBL3122128)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=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)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50191591
(CHEMBL219862 | Demotensin 3)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])C([#6])([#6])[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H87N15O9/c1-30(2)24-37(46(71)72)61-44(69)40(48(3,4)5)62-42(67)36(25-31-13-15-34(64)16-14-31)60-43(68)38-12-9-23-63(38)45(70)35(11-8-20-56-47(52)53)57-28-33(10-6-7-17-49)59-39(65)29-58-41(66)32(26-54-21-18-50)27-55-22-19-51/h13-16,30,32-33,35-38,40,54-55,57,64H,6-12,17-29,49-51H2,1-5H3,(H,58,66)(H,59,65)(H,60,68)(H,61,69)(H,62,67)(H,71,72)(H4,52,53,56)/t33?,35-,36-,37-,38-,40+/m0/s1 | PDB
Reactome pathway
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from human NTS1R expressed in HT29 cells |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(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](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
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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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
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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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
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| n/a | n/a | 1.94 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=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)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(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](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neurotensin receptor type 1
(Homo sapiens (Human)) | BDBM50191594
(CHEMBL375002 | Demotensin 4)Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6]-[#7]-[#6]-[#6]-[#7])-[#6]-[#7]-[#6]-[#6]-[#7])C([#6])([#6])[#6])-[#6](-[#8])=O Show InChI InChI=1S/C48H87N17O9/c1-29(2)23-36(45(73)74)63-43(71)39(48(3,4)5)64-41(69)35(24-30-12-14-33(66)15-13-30)62-42(70)37-11-8-22-65(37)44(72)34(10-7-19-58-47(53)54)59-27-32(9-6-18-57-46(51)52)61-38(67)28-60-40(68)31(25-55-20-16-49)26-56-21-17-50/h12-15,29,31-32,34-37,39,55-56,59,66H,6-11,16-28,49-50H2,1-5H3,(H,60,68)(H,61,67)(H,62,70)(H,63,71)(H,64,69)(H,73,74)(H4,51,52,57)(H4,53,54,58)/t32?,34-,35-,36-,37-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125I]Tyr3-NT from NTS1R in human exocrine ductal pancreatic carcinoma |
J Med Chem 49: 4767-76 (2006)
Article DOI: 10.1021/jm060415g
BindingDB Entry DOI: 10.7270/Q22808DP |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=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)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496019
(CHEMBL3122123)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
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
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496017
(CHEMBL3122124)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72+,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Atrial natriuretic peptide receptor 1
(Homo sapiens (Human)) | BDBM50333671
(CHEMBL1643388)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(C)C |r,wU:225.227,208.215,138.139,75.120,83.84,95.96,44.44,35.35,27.27,19.19,122.123,157.158,195.203,185.190,232.236,wD:216.224,204.207,131.132,146.147,59.59,101.102,8.8,4.3,2.2,107.108,113.114,70.180,168.169,(18.37,-46.54,;18.39,-45,;17.06,-44.22,;15.73,-44.98,;17.07,-42.68,;16.28,-41.36,;14.74,-41.36,;13.95,-40.04,;13.97,-42.75,;14.76,-44.07,;13.99,-45.41,;14.78,-46.74,;14.02,-48.07,;14.8,-49.4,;14.05,-50.74,;16.34,-49.38,;12.44,-42.76,;11.66,-41.43,;12.42,-40.09,;10.12,-41.43,;9.36,-40.1,;10.11,-38.77,;11.65,-38.76,;9.34,-37.44,;9.36,-42.77,;7.82,-42.81,;7.08,-44.14,;7.03,-41.47,;6.26,-42.8,;4.72,-42.78,;3.93,-44.11,;4.69,-45.44,;5.49,-41.49,;4.73,-40.23,;5.48,-38.88,;3.21,-40.24,;3.6,-41.73,;2.51,-42.81,;2.89,-44.29,;1.81,-45.37,;2.19,-46.86,;2.44,-41.6,;.96,-41.6,;.19,-42.94,;.19,-40.28,;-.58,-41.61,;-2.12,-41.59,;-2.91,-42.92,;-4.45,-42.9,;-5.22,-44.23,;-6.75,-44.22,;-4.47,-45.57,;-1.35,-40.28,;-2.13,-38.94,;-3.67,-38.96,;-1.38,-37.58,;-2.17,-36.26,;-1.42,-34.92,;-2.21,-33.6,;.03,-34.88,;.78,-33.54,;-.02,-32.22,;.74,-30.87,;-.05,-29.56,;-1.6,-29.58,;-2.35,-30.93,;-1.54,-32.25,;.82,-36.21,;2.39,-36.19,;3.14,-34.85,;3.18,-37.53,;4.72,-37.53,;5.5,-36.18,;7.06,-36.18,;7.85,-34.82,;9.4,-34.82,;10.19,-36.18,;11.67,-36.11,;12.5,-37.4,;12.38,-34.74,;13.91,-34.74,;14.75,-36.06,;14,-37.41,;16.32,-36.07,;17.09,-37.39,;16.31,-38.73,;17.09,-40.06,;14.78,-38.73,;17.09,-34.7,;18.65,-34.71,;19.41,-33.37,;19.44,-36.06,;20.92,-35.99,;21.69,-37.32,;20.93,-38.66,;23.26,-37.31,;24.04,-38.62,;23.28,-39.96,;24.03,-35.97,;25.47,-35.97,;26.24,-34.64,;26.25,-37.29,;27.79,-37.28,;28.57,-38.61,;25.49,-38.63,;26.27,-39.96,;27.81,-39.95,;25.52,-41.34,;26.31,-42.65,;27.85,-42.62,;23.99,-41.37,;23.24,-42.72,;24.04,-44.04,;21.7,-42.76,;20.97,-44.11,;21.77,-45.42,;19.98,-41.05,;18.61,-42.67,;19.39,-43.99,;10.16,-33.48,;9.39,-32.15,;11.71,-33.48,;12.48,-32.13,;11.13,-31.35,;11.14,-29.78,;9.82,-29.01,;9.83,-27.44,;8.52,-26.67,;13.83,-31.36,;15.16,-32.14,;13.84,-29.82,;15.19,-29.05,;16.53,-29.83,;17.86,-29.08,;16.52,-31.4,;15.19,-27.51,;13.87,-26.74,;16.56,-26.74,;16.56,-25.2,;15.25,-24.43,;15.26,-22.87,;13.93,-22.1,;16.62,-22.09,;17.93,-24.44,;19.27,-25.22,;17.94,-22.9,;19.29,-22.13,;20.65,-22.92,;21.98,-22.17,;23.33,-22.96,;24.66,-22.2,;26.01,-22.99,;26,-24.56,;27.34,-22.24,;19.31,-20.6,;17.99,-19.83,;20.67,-19.82,;20.68,-18.3,;19.36,-17.52,;19.37,-15.96,;18.05,-15.19,;18.06,-13.62,;16.74,-12.84,;15.41,-13.6,;16.75,-11.3,;22.04,-17.52,;23.39,-18.32,;22.05,-15.99,;23.41,-15.22,;24.76,-16.01,;26.09,-15.26,;26.28,-13.73,;27.8,-13.43,;28.56,-14.78,;27.51,-15.92,;23.42,-13.69,;24.78,-12.91,;22.1,-12.92,;3.94,-36.18,;4.71,-34.83,;6.25,-34.83,;3.93,-33.49,;4.71,-32.15,;3.93,-30.82,;2.39,-30.82,;4.71,-29.48,;6.25,-29.49,;7.02,-28.15,;3.94,-28.15,;4.71,-26.81,;6.25,-26.81,;3.94,-25.48,;4.71,-24.14,;3.94,-22.81,;2.4,-22.81,;4.71,-21.47,;6.25,-21.47,;7.02,-22.81,;8.56,-22.81,;9.33,-21.48,;9.33,-24.15,;3.94,-20.13,;4.71,-18.79,;6.25,-18.8,;3.94,-17.46,;4.72,-16.12,;3.94,-14.79,;2.4,-14.79,;4.72,-13.44,;6.26,-13.44,;7.02,-14.78,;8.57,-14.79,;9.33,-16.12,;3.95,-12.11,;4.72,-10.78,;6.26,-10.78,;3.95,-9.44,;2.41,-9.44,;1.64,-10.77,;.09,-10.77,;-.68,-12.12,;-2.22,-12.12,;4.73,-8.09,;3.95,-6.78,;2.41,-6.75,;4.65,-5.4,;6.2,-5.39,;6.44,-3.74,;4.94,-2.99,;3.76,-4.19,;2.22,-4.07,;1.35,-5.33,;1.57,-2.67,;.03,-2.56,;2.43,-1.41,;3.96,-1.52,;2.4,-17.46,;1.63,-16.12,;1.63,-18.79,)| Show InChI InChI=1S/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I]ANP from NPR-A expressed in HeLa cells after 3 hrs by gamma counting |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50333669
(CHEMBL1643384)Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79| Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50333669
(CHEMBL1643384)Show SMILES C[C@@H](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](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(NN=C(Cc3cnc[nH]3)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc3ccccc3)NC1=O)[C@@H](C)O)cc2)NC(=O)CNC(=O)[C@H](C)N |r,w:76.79| Show InChI InChI=1S/C84H110N22O17/c1-47(87)73(112)91-44-70(111)93-61-38-53-29-31-55(32-30-53)105-106-69(40-56-43-89-46-92-56)102-82(121)67(45-107)101-84(123)72(49(3)109)104-81(120)64(37-52-23-11-6-12-24-52)100-83(122)71(48(2)108)103-75(114)60(28-16-18-34-86)95-79(118)65(39-54-42-90-58-26-14-13-25-57(54)58)98-78(117)63(36-51-21-9-5-10-22-51)96-77(116)62(35-50-19-7-4-8-20-50)97-80(119)66(41-68(88)110)99-74(113)59(94-76(61)115)27-15-17-33-85/h4-14,19-26,29-32,42-43,46-49,59-67,71-72,90,105,107-109H,15-18,27-28,33-41,44-45,85-87H2,1-3H3,(H2,88,110)(H,89,92)(H,91,112)(H,93,111)(H,94,115)(H,95,118)(H,96,116)(H,97,119)(H,98,117)(H,99,113)(H,100,122)(H,101,123)(H,103,114)(H,104,120)(H,102,106,121)/t47-,48+,49+,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-,72-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
The Weizmann Institute of Science
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr3]octreotide from sst2 receptor expressed in rat AR4-2J cells |
Bioorg Med Chem 19: 798-806 (2011)
Article DOI: 10.1016/j.bmc.2010.12.014
BindingDB Entry DOI: 10.7270/Q2QC03R1 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496019
(CHEMBL3122123)Show SMILES [H][C@]1(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](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=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)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=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)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
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