Found 262 hits with Last Name = 'badghisi' and Initial = 'h' 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 |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21137
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H59N9O10/c1-2-3-17-38(48(67)59-42(27-44(62)63)50(69)57-39(45(52)64)24-30-12-6-4-7-13-30)56-49(68)41(26-33-28-53-37-18-11-10-16-35(33)37)55-43(61)29-54-47(66)40(25-31-14-8-5-9-15-31)58-46(65)36(51)23-32-19-21-34(60)22-20-32/h4-16,18-22,28,36,38-42,53,60H,2-3,17,23-27,29,51H2,1H3,(H2,52,64)(H,54,66)(H,55,61)(H,56,68)(H,57,69)(H,58,65)(H,59,67)(H,62,63)/t36-,38-,39-,40+,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | -55.4 | n/a | n/a | 0.900 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21138
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35+,36+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | -55.1 | n/a | n/a | 5.90 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21135
((3S)-3-[(2S)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-3...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H59N9O10/c1-3-4-15-38(45(64)54-36(25-41(59)60)43(62)53-35(42(49)61)23-28-11-6-5-7-12-28)55(2)47(66)37(24-30-26-50-34-14-9-8-13-32(30)34)52-40(58)27-51-44(63)39-16-10-21-56(39)46(65)33(48)22-29-17-19-31(57)20-18-29/h5-9,11-14,17-20,26,33,35-39,50,57H,3-4,10,15-16,21-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,64)(H,59,60)/t33-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183555
(CHEMBL408832 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC23CC4CC(CC(C4)C2)C3)c2ccccc12)C(O)=O |TLB:72:73:70.71.76:77,THB:72:71:77:78.73.74,74:73:70:76.75.77,74:75:70:78.72.73| Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21140
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.420 | -53.5 | n/a | n/a | 29 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183552
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202112
((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)Show SMILES CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-49(71)39(55)28-36-27-35-17-11-12-19-40(35)58-36)50(72)62-44(29-46(67)68)51(73)61-43(26-33-15-9-6-10-16-33)53(75)64-63-52(74)42(25-32-13-7-5-8-14-32)59-45(66)30-56-47(69)31(2)57-48(70)38(54)24-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,71)(H,61,73)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39-,41+,42+,43+,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202112
((3S)-3-[(2S)-2-[(2R)-2-amino-3-(1H-indol-2-yl)prop...)Show SMILES CCCC[C@H](NC(=O)[C@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-49(71)39(55)28-36-27-35-17-11-12-19-40(35)58-36)50(72)62-44(29-46(67)68)51(73)61-43(26-33-15-9-6-10-16-33)53(75)64-63-52(74)42(25-32-13-7-5-8-14-32)59-45(66)30-56-47(69)31(2)57-48(70)38(54)24-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,71)(H,61,73)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39-,41+,42+,43+,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183553
(CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50202115
(CHEMBL217957 | H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C58H73N11O13/c1-6-7-21-43(64-54(78)47(32-49(72)73)66-53(77)44(28-35-16-10-8-11-17-35)67-57(81)82-58(3,4)5)52(76)65-46(31-39-30-38-20-14-15-22-42(38)62-39)56(80)69-68-55(79)45(29-36-18-12-9-13-19-36)63-48(71)33-60-50(74)34(2)61-51(75)41(59)27-37-23-25-40(70)26-24-37/h8-20,22-26,30,34,41,43-47,62,70H,6-7,21,27-29,31-33,59H2,1-5H3,(H,60,74)(H,61,75)(H,63,71)(H,64,78)(H,65,76)(H,66,77)(H,67,81)(H,68,79)(H,69,80)(H,72,73)/t34-,41+,43+,44+,45+,46-,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183559
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183552
(CHEMBL412331 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)Show SMILES CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21131
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | -51.4 | n/a | n/a | 2.5 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21140
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50202114
(CHEMBL386212 | H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39+,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183553
(CHEMBL375412 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H63N9O13/c1-3-4-18-39(49(69)60-44(53(74)75)27-35-29-54-38-19-12-11-17-37(35)38)57-50(70)40(28-46(65)66)58-51(71)42(25-33-15-9-6-10-16-33)62-61-41(24-32-13-7-5-8-14-32)48(68)55-30-45(64)56-31(2)47(67)59-43(52(72)73)26-34-20-22-36(63)23-21-34/h5-17,19-23,29,31,39-44,54,61-63H,3-4,18,24-28,30H2,1-2H3,(H,55,68)(H,56,64)(H,57,70)(H,58,71)(H,59,67)(H,60,69)(H,65,66)(H,72,73)(H,74,75)/t31-,39+,40+,41+,42+,43+,44-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21141
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36-,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | -50.4 | n/a | n/a | 23 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21141
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36-,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.5 | n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21132
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.60 | n/a | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21133
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H63N9O10/c1-4-6-16-36(54-44(63)34(49)23-30-19-21-32(58)22-20-30)45(64)52-28-41(59)53-39(25-31-27-51-35-17-12-11-15-33(31)35)48(67)57(3)40(18-7-5-2)47(66)56-38(26-42(60)61)46(65)55-37(43(50)62)24-29-13-9-8-10-14-29/h8-15,17,19-22,27,34,36-40,51,58H,4-7,16,18,23-26,28,49H2,1-3H3,(H2,50,62)(H,52,64)(H,53,59)(H,54,63)(H,55,65)(H,56,66)(H,60,61)/t34-,36+,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | -49.7 | n/a | n/a | 15 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21146
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-[(3S)-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C55H66N10O13/c1-3-4-19-45(54(77)64-43(29-48(70)71)53(76)61-40(49(57)72)24-32-13-7-5-8-14-32)65(2)55(78)44(27-35-30-58-39-18-12-11-17-37(35)39)60-46(67)31-59-51(74)41(25-33-15-9-6-10-16-33)63-52(75)42(26-34-20-22-36(66)23-21-34)62-50(73)38(56)28-47(68)69/h5-18,20-23,30,38,40-45,58,66H,3-4,19,24-29,31,56H2,1-2H3,(H2,57,72)(H,59,74)(H,60,67)(H,61,76)(H,62,73)(H,63,75)(H,64,77)(H,68,69)(H,70,71)/t38-,40-,41+,42-,43-,44-,45-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.10 | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21132
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36+,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | -49.4 | n/a | n/a | 120 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21139
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | -49.0 | n/a | n/a | 4.5 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21134
((3S)-3-[(2S)-2-[(2S)-2-(2-{[(2R)-1-[(2S)-2-amino-3...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H59N9O10/c1-3-4-15-38(45(64)54-36(25-41(59)60)43(62)53-35(42(49)61)23-28-11-6-5-7-12-28)55(2)47(66)37(24-30-26-50-34-14-9-8-13-32(30)34)52-40(58)27-51-44(63)39-16-10-21-56(39)46(65)33(48)22-29-17-19-31(57)20-18-29/h5-9,11-14,17-20,26,33,35-39,50,57H,3-4,10,15-16,21-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,64)(H,59,60)/t33-,35-,36-,37-,38-,39+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | 36 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202109
(CHEMBL375359 | H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Phe-D-A...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-49(71)39(55)28-36-27-35-17-11-12-19-40(35)58-36)50(72)62-44(29-46(67)68)51(73)61-43(26-33-15-9-6-10-16-33)53(75)64-63-52(74)42(25-32-13-7-5-8-14-32)59-45(66)30-56-47(69)31(2)57-48(70)38(54)24-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,71)(H,61,73)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39+,41-,42+,43-,44-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202110
(CHEMBL218651 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Trp-D-Nle...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39-,41-,42+,43+,44-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202110
(CHEMBL218651 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Trp-D-Nle...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39-,41-,42+,43+,44-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183554
(CHEMBL438739 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)| Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21133
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H63N9O10/c1-4-6-16-36(54-44(63)34(49)23-30-19-21-32(58)22-20-30)45(64)52-28-41(59)53-39(25-31-27-51-35-17-12-11-15-33(31)35)48(67)57(3)40(18-7-5-2)47(66)56-38(26-42(60)61)46(65)55-37(43(50)62)24-29-13-9-8-10-14-29/h8-15,17,19-22,27,34,36-40,51,58H,4-7,16,18,23-26,28,49H2,1-3H3,(H2,50,62)(H,52,64)(H,53,59)(H,54,63)(H,55,65)(H,56,66)(H,60,61)/t34-,36+,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21136
((3S)-3-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hy...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H55N9O10/c1-3-4-14-36(43(62)52-34(22-39(57)58)42(61)51-33(40(46)59)20-26-10-6-5-7-11-26)53(2)44(63)35(21-28-23-47-32-13-9-8-12-30(28)32)50-38(56)25-48-37(55)24-49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-13,15-18,23,31,33-36,47,54H,3-4,14,19-22,24-25,45H2,1-2H3,(H2,46,59)(H,48,55)(H,49,60)(H,50,56)(H,51,61)(H,52,62)(H,57,58)/t31-,33-,34-,35-,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183556
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183556
(CHEMBL408889 | H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)N(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C56H67N9O14/c1-5-6-20-41(52(73)62-45(56(78)79)29-38-32-65(34(3)66)46-21-14-13-19-40(38)46)59-53(74)42(30-49(69)70)60-54(75)47(28-36-17-11-8-12-18-36)64(4)63-43(26-35-15-9-7-10-16-35)51(72)57-31-48(68)58-33(2)50(71)61-44(55(76)77)27-37-22-24-39(67)25-23-37/h7-19,21-25,32-33,41-45,47,63,67H,5-6,20,26-31H2,1-4H3,(H,57,72)(H,58,68)(H,59,74)(H,60,75)(H,61,71)(H,62,73)(H,69,70)(H,76,77)(H,78,79)/t33-,41+,42+,43+,44+,45+,47+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21140
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42+,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.90 | -47.0 | n/a | n/a | 530 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21138
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35+,36+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.80 | -46.3 | n/a | n/a | 12 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM21139
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202114
(CHEMBL386212 | H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39+,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Activity at rat mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assay |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50202114
(CHEMBL386212 | H-Tyr-D-Ala-Gly-Phe-NH-NH-D-Trp-Nle...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C53H65N11O11/c1-3-4-18-41(60-51(73)44(29-46(67)68)61-49(71)39(55)24-32-13-7-5-8-14-32)50(72)62-43(28-36-27-35-17-11-12-19-40(35)58-36)53(75)64-63-52(74)42(26-33-15-9-6-10-16-33)59-45(66)30-56-47(69)31(2)57-48(70)38(54)25-34-20-22-37(65)23-21-34/h5-17,19-23,27,31,38-39,41-44,58,65H,3-4,18,24-26,28-30,54-55H2,1-2H3,(H,56,69)(H,57,70)(H,59,66)(H,60,73)(H,61,71)(H,62,72)(H,63,74)(H,64,75)(H,67,68)/t31-,38+,39+,41+,42+,43-,44+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 50: 165-8 (2007)
Article DOI: 10.1021/jm061268p
BindingDB Entry DOI: 10.7270/Q2TD9X17 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21139
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21131
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C51H61N9O10/c1-3-4-19-43(50(69)59-41(28-45(63)64)49(68)57-39(46(53)65)25-31-13-7-5-8-14-31)60(2)51(70)42(27-34-29-54-38-18-12-11-17-36(34)38)56-44(62)30-55-48(67)40(26-32-15-9-6-10-16-32)58-47(66)37(52)24-33-20-22-35(61)23-21-33/h5-18,20-23,29,37,39-43,54,61H,3-4,19,24-28,30,52H2,1-2H3,(H2,53,65)(H,55,67)(H,56,62)(H,57,68)(H,58,66)(H,59,69)(H,63,64)/t37-,39-,40+,41-,42-,43-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183554
(CHEMBL438739 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)| Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183554
(CHEMBL438739 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC2C3CC4CC(C3)CC2C4)c2ccccc12)C(O)=O |wU:61.63,16.24,26.26,4.4,wD:8.12,41.43,46.47,TLB:68:69:71.78.72:76.74.75,78:77:75:71.72.73,THB:68:69:75:71.72.73,78:72:69.77.76:75,73:72:69:76.74.75,73:74:69:71.78.72,(22.46,-1.18,;21.14,-1.97,;21.15,-3.51,;19.82,-4.28,;19.82,-5.82,;18.49,-6.58,;17.15,-5.81,;17.15,-4.28,;15.82,-6.58,;15.82,-8.12,;17.15,-8.89,;18.48,-8.12,;17.15,-10.44,;14.49,-5.81,;13.15,-6.58,;13.15,-8.12,;11.82,-5.81,;11.82,-4.28,;13.15,-3.5,;14.49,-4.27,;15.82,-3.51,;15.82,-1.97,;14.5,-1.19,;13.16,-1.96,;10.49,-6.58,;9.17,-5.81,;7.82,-6.58,;7.82,-8.13,;6.49,-8.9,;5.15,-8.13,;3.82,-8.9,;3.82,-10.45,;5.15,-11.22,;6.49,-10.45,;6.49,-5.82,;6.48,-4.27,;5.15,-6.59,;3.81,-5.82,;2.47,-6.59,;2.47,-8.13,;1.13,-5.82,;-.2,-6.59,;-.2,-8.13,;-1.54,-5.82,;-1.54,-4.27,;-2.88,-6.59,;-4.22,-5.82,;-4.22,-4.27,;-5.55,-3.5,;-6.89,-4.27,;-8.23,-3.5,;-8.23,-1.96,;-9.57,-1.19,;-6.89,-1.19,;-5.55,-1.96,;-5.55,-6.59,;-6.89,-5.82,;-5.55,-8.14,;21.15,-6.59,;21.15,-8.13,;22.48,-5.82,;23.82,-6.59,;23.82,-8.14,;25.15,-8.91,;26.56,-8.28,;27.58,-9.43,;29.12,-9.27,;29.75,-7.87,;30.02,-10.52,;31.55,-10.36,;32.75,-9.08,;34.07,-9.57,;35.47,-9.23,;35.48,-7.7,;34.09,-7.12,;32.74,-7.6,;33.05,-8.35,;33.05,-9.94,;34.46,-10.51,;26.81,-10.76,;27.29,-12.23,;26.26,-13.37,;24.75,-13.04,;24.27,-11.58,;25.31,-10.44,;25.15,-5.83,;26.49,-6.6,;25.15,-4.28,)| Show InChI InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21145
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38+,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | -43.9 | n/a | n/a | 4.10 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183559
(CHEMBL374325 | Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-NMe...)Show SMILES CCCC[C@H](N(C)C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O Show InChI InChI=1S/C59H73N9O15/c1-7-8-22-48(54(76)64-46(57(80)81)31-39-34-68(58(82)83-59(3,4)5)47-23-16-15-21-41(39)47)67(6)55(77)44(32-50(71)72)62-53(75)43(29-37-19-13-10-14-20-37)66-65-42(28-36-17-11-9-12-18-36)52(74)60-33-49(70)61-35(2)51(73)63-45(56(78)79)30-38-24-26-40(69)27-25-38/h9-21,23-27,34-35,42-46,48,65-66,69H,7-8,22,28-33H2,1-6H3,(H,60,74)(H,61,70)(H,62,75)(H,63,73)(H,64,76)(H,71,72)(H,78,79)(H,80,81)/t35-,42+,43+,44+,45+,46-,48+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21141
((3S)-3-[(2S)-2-[(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H57N9O10/c1-4-5-15-37(44(63)53-35(23-39(57)58)43(62)52-34(40(47)59)21-27-11-7-6-8-12-27)54(3)45(64)36(22-29-24-48-33-14-10-9-13-31(29)33)51-38(56)25-49-41(60)26(2)50-42(61)32(46)20-28-16-18-30(55)19-17-28/h6-14,16-19,24,26,32,34-37,48,55H,4-5,15,20-23,25,46H2,1-3H3,(H2,47,59)(H,49,60)(H,50,61)(H,51,56)(H,52,62)(H,53,63)(H,57,58)/t26-,32+,34+,35+,36-,37+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | -43.7 | n/a | n/a | 38 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50183557
(CHEMBL442483 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(C)=O)c2ccccc12)C(O)=O Show InChI InChI=1S/C55H65N9O14/c1-4-5-19-40(51(72)61-45(55(77)78)28-37-31-64(33(3)65)46-20-13-12-18-39(37)46)58-52(73)41(29-48(68)69)59-53(74)43(26-35-16-10-7-11-17-35)63-62-42(25-34-14-8-6-9-15-34)50(71)56-30-47(67)57-32(2)49(70)60-44(54(75)76)27-36-21-23-38(66)24-22-36/h6-18,20-24,31-32,40-45,62-63,66H,4-5,19,25-30H2,1-3H3,(H,56,71)(H,57,67)(H,58,73)(H,59,74)(H,60,70)(H,61,72)(H,68,69)(H,75,76)(H,77,78)/t32-,40+,41+,42+,43+,44+,45+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183558
(CHEMBL405192 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21133
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C48H63N9O10/c1-4-6-16-36(54-44(63)34(49)23-30-19-21-32(58)22-20-30)45(64)52-28-41(59)53-39(25-31-27-51-35-17-12-11-15-33(31)35)48(67)57(3)40(18-7-5-2)47(66)56-38(26-42(60)61)46(65)55-37(43(50)62)24-29-13-9-8-10-14-29/h8-15,17,19-22,27,34,36-40,51,58H,4-7,16,18,23-26,28,49H2,1-3H3,(H2,50,62)(H,52,64)(H,53,59)(H,54,63)(H,55,65)(H,56,66)(H,60,61)/t34-,36+,37-,38-,39-,40-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | -43.4 | n/a | n/a | 110 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21139
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C47H61N9O10/c1-3-5-15-35(53-43(62)33(48)22-29-18-20-31(57)21-19-29)44(63)51-27-40(58)52-38(24-30-26-50-34-17-11-10-14-32(30)34)46(65)54-36(16-6-4-2)45(64)56-39(25-41(59)60)47(66)55-37(42(49)61)23-28-12-8-7-9-13-28/h7-14,17-21,26,33,35-39,50,57H,3-6,15-16,22-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,65)(H,55,66)(H,56,64)(H,59,60)/t33-,35+,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | -43.3 | n/a | n/a | 0.460 | n/a | n/a | 7.4 | 25 |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(Homo sapiens (Human)) | BDBM21137
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-...)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C50H59N9O10/c1-2-3-17-38(48(67)59-42(27-44(62)63)50(69)57-39(45(52)64)24-30-12-6-4-7-13-30)56-49(68)41(26-33-28-53-37-18-11-10-16-35(33)37)55-43(61)29-54-47(66)40(25-31-14-8-5-9-15-31)58-46(65)36(51)23-32-19-21-34(60)22-20-32/h4-16,18-22,28,36,38-42,53,60H,2-3,17,23-27,29,51H2,1H3,(H2,52,64)(H,54,66)(H,55,61)(H,56,68)(H,57,69)(H,58,65)(H,59,67)(H,62,63)/t36-,38-,39-,40+,41-,42-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
University of Arizona at Tucson
| Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe... |
J Med Chem 49: 2868-75 (2006)
Article DOI: 10.1021/jm050921q
BindingDB Entry DOI: 10.7270/Q24Q7S99 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50183551
(CHEMBL413644 | H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-N...)Show SMILES CCCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N[C@H](Cc1cn(C(=O)OC(C)(C)C)c2ccccc12)C(O)=O Show InChI InChI=1S/C58H71N9O15/c1-6-7-21-41(52(74)64-46(56(79)80)30-38-33-67(57(81)82-58(3,4)5)47-22-15-14-20-40(38)47)61-53(75)42(31-49(70)71)62-54(76)44(28-36-18-12-9-13-19-36)66-65-43(27-35-16-10-8-11-17-35)51(73)59-32-48(69)60-34(2)50(72)63-45(55(77)78)29-37-23-25-39(68)26-24-37/h8-20,22-26,33-34,41-46,65-66,68H,6-7,21,27-32H2,1-5H3,(H,59,73)(H,60,69)(H,61,75)(H,62,76)(H,63,72)(H,64,74)(H,70,71)(H,77,78)(H,79,80)/t34-,41+,42+,43+,44+,45+,46-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opioid receptor expressed in HN9.10 cells |
J Med Chem 49: 1773-80 (2006)
Article DOI: 10.1021/jm050851n
BindingDB Entry DOI: 10.7270/Q2FT8MVM |
More data for this
Ligand-Target Pair | |
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