Found 21 hits Enz. Inhib. hit(s) with all data for entry = 50003314 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 |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469380
(CHEMBL4276875)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H46N8O5/c1-21-16-25(44)17-22(2)26(21)20-27(36)32(46)41-28(14-9-15-40-35(38)39)33(47)43-30(19-24-12-7-4-8-13-24)34(48)42-29(31(37)45)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,44H,9,14-15,18-20,36H2,1-2H3,(H2,37,45)(H,41,46)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469389
(CHEMBL4288649)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C40H53N9O8/c1-23-18-27(50)19-24(2)28(23)22-29(41)35(52)46-30(14-9-17-45-40(43)44)36(53)48-33(21-26-12-7-4-8-13-26)38(55)49-32(20-25-10-5-3-6-11-25)37(54)47-31(39(56)57)15-16-34(42)51/h3-8,10-13,18-19,29-33,50H,9,14-17,20-22,41H2,1-2H3,(H2,42,51)(H,46,52)(H,47,54)(H,48,53)(H,49,55)(H,56,57)(H4,43,44,45)/t29-,30+,31-,32-,33-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469390
(CHEMBL4290989)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H36N6O5/c1-15-11-18(33)12-16(2)19(15)14-20(27)23(34)31-21(9-6-10-30-26(28)29)24(35)32-22(25(36)37)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,20-22,33H,6,9-10,13-14,27H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t20-,21+,22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469382
(CHEMBL4283991)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C68H86N12O13/c1-41-34-47(81)35-42(2)48(41)40-49(70)68(93)80-33-17-27-57(80)67(92)79-56(39-46-24-13-6-14-25-46)66(91)78-55(38-45-22-11-5-12-23-45)65(90)75-52(29-31-59(83)84)62(87)77-54(37-44-20-9-4-10-21-44)64(89)74-51(28-30-58(71)82)61(86)76-53(36-43-18-7-3-8-19-43)63(88)73-50(60(72)85)26-15-16-32-69/h3-14,18-25,34-35,49-57,81H,15-17,26-33,36-40,69-70H2,1-2H3,(H2,71,82)(H2,72,85)(H,73,88)(H,74,89)(H,75,90)(H,76,86)(H,77,87)(H,78,91)(H,79,92)(H,83,84)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469387
(CHEMBL4291181)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN)C(N)=O)C1=O |r| Show InChI InChI=1S/C73H97N17O13/c1-43-35-50(91)36-44(2)51(43)41-52(75)65(96)84-54(26-16-33-81-73(79)80)66(97)89-60-40-48-23-12-13-24-49(48)42-90(72(60)103)34-31-63(94)82-57(37-45-17-6-3-7-18-45)69(100)85-55(27-29-61(76)92)67(98)88-59(39-47-21-10-5-11-22-47)71(102)86-56(28-30-62(77)93)68(99)87-58(38-46-19-8-4-9-20-46)70(101)83-53(64(78)95)25-14-15-32-74/h3-13,17-24,35-36,52-60,91H,14-16,25-34,37-42,74-75H2,1-2H3,(H2,76,92)(H2,77,93)(H2,78,95)(H,82,94)(H,83,101)(H,84,96)(H,85,100)(H,86,102)(H,87,99)(H,88,98)(H,89,97)(H4,79,80,81)/t52-,53-,54+,55-,56-,57-,58-,59-,60-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469381
(CHEMBL4277122)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C79H103N17O13/c1-48-39-56(97)40-49(2)57(48)47-58(81)71(102)91-60(32-20-38-87-79(85)86)73(104)94-66(45-54-29-16-7-17-30-54)78(109)96-65(44-53-27-14-6-15-28-53)77(108)92-61(33-35-67(82)98)72(103)88-55(41-50-21-8-3-9-22-50)46-69(100)89-63(42-51-23-10-4-11-24-51)75(106)93-62(34-36-68(83)99)74(105)95-64(43-52-25-12-5-13-26-52)76(107)90-59(70(84)101)31-18-19-37-80/h3-17,21-30,39-40,55,58-66,97H,18-20,31-38,41-47,80-81H2,1-2H3,(H2,82,98)(H2,83,99)(H2,84,101)(H,88,103)(H,89,100)(H,90,107)(H,91,102)(H,92,108)(H,93,106)(H,94,104)(H,95,105)(H,96,109)(H4,85,86,87)/t55-,58-,59-,60+,61-,62-,63-,64-,65-,66-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469384
(CHEMBL4280549)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H92N14O12/c1-42-35-48(84)36-43(2)49(42)41-50(72)62(88)77-52(28-16-18-34-71)63(89)80-58(40-47-25-13-6-14-26-47)69(95)83-57(39-46-23-11-5-12-24-46)68(94)79-54(30-32-60(74)86)65(91)82-56(38-45-21-9-4-10-22-45)67(93)78-53(29-31-59(73)85)64(90)81-55(37-44-19-7-3-8-20-44)66(92)76-51(61(75)87)27-15-17-33-70/h3-14,19-26,35-36,50-58,84H,15-18,27-34,37-41,70-72H2,1-2H3,(H2,73,85)(H2,74,86)(H2,75,87)(H,76,92)(H,77,88)(H,78,93)(H,79,94)(H,80,89)(H,81,90)(H,82,91)(H,83,95)/t50-,51-,52+,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469386
(CHEMBL4278603)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C70H88N14O12/c1-41-33-47(85)34-42(2)49(41)39-50(72)70(96)84-32-16-26-59(84)69(95)83-58(38-46-40-76-51-24-13-12-23-48(46)51)68(94)82-57(37-45-21-10-5-11-22-45)67(93)79-54(28-30-61(74)87)64(90)81-56(36-44-19-8-4-9-20-44)66(92)78-53(27-29-60(73)86)63(89)80-55(35-43-17-6-3-7-18-43)65(91)77-52(62(75)88)25-14-15-31-71/h3-13,17-24,33-34,40,50,52-59,76,85H,14-16,25-32,35-39,71-72H2,1-2H3,(H2,73,86)(H2,74,87)(H2,75,88)(H,77,91)(H,78,92)(H,79,93)(H,80,89)(H,81,90)(H,82,94)(H,83,95)/t50-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469378
(CHEMBL4287777)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H91N13O13/c1-42-35-48(83)36-43(2)49(42)41-50(72)62(88)76-52(28-16-18-34-71)63(89)79-58(40-47-25-13-6-14-26-47)69(95)82-57(39-46-23-11-5-12-24-46)68(94)78-54(30-32-60(85)86)65(91)81-56(38-45-21-9-4-10-22-45)67(93)77-53(29-31-59(73)84)64(90)80-55(37-44-19-7-3-8-20-44)66(92)75-51(61(74)87)27-15-17-33-70/h3-14,19-26,35-36,50-58,83H,15-18,27-34,37-41,70-72H2,1-2H3,(H2,73,84)(H2,74,87)(H,75,92)(H,76,88)(H,77,93)(H,78,94)(H,79,89)(H,80,90)(H,81,91)(H,82,95)(H,85,86)/t50-,51-,52+,53-,54-,55-,56-,57-,58-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469385
(CHEMBL4294583)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C68H87N13O12/c1-41-34-47(82)35-42(2)48(41)40-49(70)68(93)81-33-17-27-57(81)67(92)80-56(39-46-24-13-6-14-25-46)66(91)79-55(38-45-22-11-5-12-23-45)65(90)76-52(29-31-59(72)84)62(87)78-54(37-44-20-9-4-10-21-44)64(89)75-51(28-30-58(71)83)61(86)77-53(36-43-18-7-3-8-19-43)63(88)74-50(60(73)85)26-15-16-32-69/h3-14,18-25,34-35,49-57,82H,15-17,26-33,36-40,69-70H2,1-2H3,(H2,71,83)(H2,72,84)(H2,73,85)(H,74,88)(H,75,89)(H,76,90)(H,77,86)(H,78,87)(H,79,91)(H,80,92)/t49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469383
(CHEMBL4280750)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C54H70N12O11/c1-31-25-36(67)26-32(2)37(31)30-38(55)47(70)61-39(19-12-24-60-54(58)59)48(71)64-44(29-35-17-10-5-11-18-35)52(75)66-42(27-33-13-6-3-7-14-33)50(73)62-40(20-22-45(56)68)49(72)65-43(28-34-15-8-4-9-16-34)51(74)63-41(53(76)77)21-23-46(57)69/h3-11,13-18,25-26,38-44,67H,12,19-24,27-30,55H2,1-2H3,(H2,56,68)(H2,57,69)(H,61,70)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,66,75)(H,76,77)(H4,58,59,60)/t38-,39+,40-,41-,42-,43-,44-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 6.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469379
(CHEMBL4284374)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H92N16O12/c1-41-34-47(86)35-42(2)48(41)40-49(71)61(90)79-51(27-17-33-77-69(75)76)62(91)82-57(39-46-24-13-6-14-25-46)68(97)85-56(38-45-22-11-5-12-23-45)67(96)81-53(29-31-59(73)88)64(93)84-55(37-44-20-9-4-10-21-44)66(95)80-52(28-30-58(72)87)63(92)83-54(36-43-18-7-3-8-19-43)65(94)78-50(60(74)89)26-15-16-32-70/h3-14,18-25,34-35,49-57,86H,15-17,26-33,36-40,70-71H2,1-2H3,(H2,72,87)(H2,73,88)(H2,74,89)(H,78,94)(H,79,90)(H,80,95)(H,81,96)(H,82,91)(H,83,92)(H,84,93)(H,85,97)(H4,75,76,77)/t49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins by liquid scintillation counting |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50149384
((S)-1-[(S)-2-Amino-3-(4-hydroxy-2,6-dimethyl-pheny...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C34H41N5O5/c1-21-16-25(40)17-22(2)26(21)20-27(35)34(44)39-15-9-14-30(39)33(43)38-29(19-24-12-7-4-8-13-24)32(42)37-28(31(36)41)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,40H,9,14-15,18-20,35H2,1-2H3,(H2,36,41)(H,37,42)(H,38,43)/t27-,28-,29-,30-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469389
(CHEMBL4288649)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C40H53N9O8/c1-23-18-27(50)19-24(2)28(23)22-29(41)35(52)46-30(14-9-17-45-40(43)44)36(53)48-33(21-26-12-7-4-8-13-26)38(55)49-32(20-25-10-5-3-6-11-25)37(54)47-31(39(56)57)15-16-34(42)51/h3-8,10-13,18-19,29-33,50H,9,14-17,20-22,41H2,1-2H3,(H2,42,51)(H,46,52)(H,47,54)(H,48,53)(H,49,55)(H,56,57)(H4,43,44,45)/t29-,30+,31-,32-,33-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469388
(CHEMBL4284813)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H46N6O5/c1-22-17-26(42)18-23(2)27(22)21-28(37)33(44)39-29(15-9-10-16-36)34(45)41-31(20-25-13-7-4-8-14-25)35(46)40-30(32(38)43)19-24-11-5-3-6-12-24/h3-8,11-14,17-18,28-31,42H,9-10,15-16,19-21,36-37H2,1-2H3,(H2,38,43)(H,39,44)(H,40,46)(H,41,45)/t28-,29+,30-,31-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469390
(CHEMBL4290989)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C26H36N6O5/c1-15-11-18(33)12-16(2)19(15)14-20(27)23(34)31-21(9-6-10-30-26(28)29)24(35)32-22(25(36)37)13-17-7-4-3-5-8-17/h3-5,7-8,11-12,20-22,33H,6,9-10,13-14,27H2,1-2H3,(H,31,34)(H,32,35)(H,36,37)(H4,28,29,30)/t20-,21+,22-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.70 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469380
(CHEMBL4276875)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C35H46N8O5/c1-21-16-25(44)17-22(2)26(21)20-27(36)32(46)41-28(14-9-15-40-35(38)39)33(47)43-30(19-24-12-7-4-8-13-24)34(48)42-29(31(37)45)18-23-10-5-3-6-11-23/h3-8,10-13,16-17,27-30,44H,9,14-15,18-20,36H2,1-2H3,(H2,37,45)(H,41,46)(H,42,48)(H,43,47)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469383
(CHEMBL4280750)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C54H70N12O11/c1-31-25-36(67)26-32(2)37(31)30-38(55)47(70)61-39(19-12-24-60-54(58)59)48(71)64-44(29-35-17-10-5-11-18-35)52(75)66-42(27-33-13-6-3-7-14-33)50(73)62-40(20-22-45(56)68)49(72)65-43(28-34-15-8-4-9-16-34)51(74)63-41(53(76)77)21-23-46(57)69/h3-11,13-18,25-26,38-44,67H,12,19-24,27-30,55H2,1-2H3,(H2,56,68)(H2,57,69)(H,61,70)(H,62,73)(H,63,74)(H,64,71)(H,65,72)(H,66,75)(H,76,77)(H4,58,59,60)/t38-,39+,40-,41-,42-,43-,44-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 48 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50469379
(CHEMBL4284374)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C69H92N16O12/c1-41-34-47(86)35-42(2)48(41)40-49(71)61(90)79-51(27-17-33-77-69(75)76)62(91)82-57(39-46-24-13-6-14-25-46)68(97)85-56(38-45-22-11-5-12-23-45)67(96)81-53(29-31-59(73)88)64(93)84-55(37-44-20-9-4-10-21-44)66(95)80-52(28-30-58(72)87)63(92)83-54(36-43-18-7-3-8-19-43)65(94)78-50(60(74)89)26-15-16-32-70/h3-14,18-25,34-35,49-57,86H,15-17,26-33,36-40,70-71H2,1-2H3,(H2,72,87)(H2,73,88)(H2,74,89)(H,78,94)(H,79,90)(H,80,95)(H,81,96)(H,82,91)(H,83,92)(H,84,93)(H,85,97)(H4,75,76,77)/t49-,50-,51+,52-,53-,54-,55-,56-,57-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 51 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50199865
((S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-y...)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C36H42N6O5/c1-21-15-25(43)16-22(2)27(21)19-28(37)36(47)42-14-8-13-32(42)35(46)41-31(18-24-20-39-29-12-7-6-11-26(24)29)34(45)40-30(33(38)44)17-23-9-4-3-5-10-23/h3-7,9-12,15-16,20,28,30-32,39,43H,8,13-14,17-19,37H2,1-2H3,(H2,38,44)(H,40,45)(H,41,46)/t28-,30-,31-,32-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at human MOR expressed in CHO cell membranes after 60 mins by [35S]GTPgammaS binding assay |
J Med Chem 61: 9784-9789 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01282
BindingDB Entry DOI: 10.7270/Q2F76G8Q |
More data for this
Ligand-Target Pair | |
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