Found 14 hits of ki for UniProtKB: P42866 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474629
(CHEMBL415006)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:65:64:88.68.67:83.81.82,84:83:64:88.68.67,73:88:64:83.81.82,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(76-38-11-12-43-40(25-38)42-27-68(91)48-24-36-9-13-45(82)60-55(36)65(68,62(92-60)58(42)78-43)17-21-81(48)33-35-7-8-35)71-20-2-19-70-51(86)28-74-52(87)29-72-49(84)15-16-50(85)73-30-53(88)75-31-54(89)77-44-4-1-3-39-41-26-67(90)47-23-37-10-14-46(83)61-56(37)66(67,18-22-80(47)32-34-5-6-34)63(93-61)59(41)79-57(39)44/h1,3-4,9-14,25,34-35,47-48,62-63,78-79,82-83,90-91H,2,5-8,15-24,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,77,89)(H3,69,71,76)/t47?,48?,62-,63-,65?,66?,67+,68+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474628
(CHEMBL386810)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474624
(CHEMBL409172)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:66:65:89.69.68:84.82.83,85:84:65:89.69.68,74:89:65:84.82.83,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C69H79N13O12/c70-65(77-39-12-13-44-41(26-39)43-28-69(92)49-25-37-10-14-46(83)61-56(37)66(69,63(93-61)59(43)79-44)18-22-82(49)34-36-8-9-36)72-21-2-1-20-71-52(87)29-75-53(88)30-73-50(85)16-17-51(86)74-31-54(89)76-32-55(90)78-45-5-3-4-40-42-27-68(91)48-24-38-11-15-47(84)62-57(38)67(68,19-23-81(48)33-35-6-7-35)64(94-62)60(42)80-58(40)45/h3-5,10-15,26,35-36,48-49,63-64,79-80,83-84,91-92H,1-2,6-9,16-25,27-34H2,(H,71,87)(H,73,85)(H,74,86)(H,75,88)(H,76,89)(H,78,90)(H3,70,72,77)/t48?,49?,63-,64-,66?,67?,68+,69+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474624
(CHEMBL409172)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:66:65:89.69.68:84.82.83,85:84:65:89.69.68,74:89:65:84.82.83,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C69H79N13O12/c70-65(77-39-12-13-44-41(26-39)43-28-69(92)49-25-37-10-14-46(83)61-56(37)66(69,63(93-61)59(43)79-44)18-22-82(49)34-36-8-9-36)72-21-2-1-20-71-52(87)29-75-53(88)30-73-50(85)16-17-51(86)74-31-54(89)76-32-55(90)78-45-5-3-4-40-42-27-68(91)48-24-38-11-15-47(84)62-57(38)67(68,19-23-81(48)33-35-6-7-35)64(94-62)60(42)80-58(40)45/h3-5,10-15,26,35-36,48-49,63-64,79-80,83-84,91-92H,1-2,6-9,16-25,27-34H2,(H,71,87)(H,73,85)(H,74,86)(H,75,88)(H,76,89)(H,78,90)(H3,70,72,77)/t48?,49?,63-,64-,66?,67?,68+,69+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474626
(CHEMBL414603)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:67:66:90.70.69:85.83.84,86:85:66:90.70.69,75:90:66:85.83.84,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C70H81N13O12/c71-66(78-40-13-14-45-42(27-40)44-29-70(93)50-26-38-11-15-47(84)62-57(38)67(70,64(94-62)60(44)80-45)19-23-83(50)35-37-9-10-37)73-22-3-1-2-21-72-53(88)30-76-54(89)31-74-51(86)17-18-52(87)75-32-55(90)77-33-56(91)79-46-6-4-5-41-43-28-69(92)49-25-39-12-16-48(85)63-58(39)68(69,20-24-82(49)34-36-7-8-36)65(95-63)61(43)81-59(41)46/h4-6,11-16,27,36-37,49-50,64-65,80-81,84-85,92-93H,1-3,7-10,17-26,28-35H2,(H,72,88)(H,74,86)(H,75,87)(H,76,89)(H,77,90)(H,79,91)(H3,71,73,78)/t49?,50?,64-,65-,67?,68?,69+,70+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474626
(CHEMBL414603)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:67:66:90.70.69:85.83.84,86:85:66:90.70.69,75:90:66:85.83.84,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C70H81N13O12/c71-66(78-40-13-14-45-42(27-40)44-29-70(93)50-26-38-11-15-47(84)62-57(38)67(70,64(94-62)60(44)80-45)19-23-83(50)35-37-9-10-37)73-22-3-1-2-21-72-53(88)30-76-54(89)31-74-51(86)17-18-52(87)75-32-55(90)77-33-56(91)79-46-6-4-5-41-43-28-69(92)49-25-39-12-16-48(85)63-58(39)68(69,20-24-82(49)34-36-7-8-36)65(95-63)61(43)81-59(41)46/h4-6,11-16,27,36-37,49-50,64-65,80-81,84-85,92-93H,1-3,7-10,17-26,28-35H2,(H,72,88)(H,74,86)(H,75,87)(H,76,89)(H,77,90)(H,79,91)(H3,71,73,78)/t49?,50?,64-,65-,67?,68?,69+,70+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474625
(CHEMBL611140)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6| Show InChI InChI=1S/C64H71N11O10/c65-60(70-36-11-12-41-38(25-36)40-27-64(83)46-24-34-9-13-43(76)56-51(34)61(64,58(84-56)54(40)72-41)17-21-75(46)31-33-7-8-33)67-20-2-19-66-49(80)28-68-47(78)15-16-48(79)69-29-50(81)71-42-4-1-3-37-39-26-63(82)45-23-35-10-14-44(77)57-52(35)62(63,18-22-74(45)30-32-5-6-32)59(85-57)55(39)73-53(37)42/h1,3-4,9-14,25,32-33,45-46,58-59,72-73,76-77,82-83H,2,5-8,15-24,26-31H2,(H,66,80)(H,68,78)(H,69,79)(H,71,81)(H3,65,67,70)/t45-,46-,58+,59+,61+,62+,63-,64-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors. |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474627
(CHEMBL440626)Show SMILES [H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(77-39-9-11-45-41(25-39)43-27-68(91)49-23-37-7-13-47(83)61-57(37)66(68,63(93-61)59(43)79-45)17-21-81(49)33-35-4-5-35)71-19-1-18-70-52(86)28-74-53(87)29-72-50(84)14-15-51(85)73-30-54(88)75-31-55(89)76-38-8-10-44-40(24-38)42-26-67(90)48-22-36-6-12-46(82)60-56(36)65(67,62(92-60)58(42)78-44)16-20-80(48)32-34-2-3-34/h6-13,24-25,34-35,48-49,62-63,78-79,82-83,90-91H,1-5,14-23,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,76,89)(H3,69,71,77)/t48?,49?,62-,63-,65?,66?,67+,68+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474628
(CHEMBL386810)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(NC(N)=NCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:64:63:87.67.66:82.80.81,83:82:63:87.67.66,72:87:63:82.80.81,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C67H75N13O12/c68-63(75-37-10-11-42-39(24-37)41-26-67(90)47-23-35-8-12-44(81)59-54(35)64(67,61(91-59)57(41)77-42)16-20-80(47)32-34-6-7-34)70-19-18-69-50(85)27-73-51(86)28-71-48(83)14-15-49(84)72-29-52(87)74-30-53(88)76-43-3-1-2-38-40-25-66(89)46-22-36-9-13-45(82)60-55(36)65(66,17-21-79(46)31-33-4-5-33)62(92-60)58(40)78-56(38)43/h1-3,8-13,24,33-34,46-47,61-62,77-78,81-82,89-90H,4-7,14-23,25-32H2,(H,69,85)(H,71,83)(H,72,84)(H,73,86)(H,74,87)(H,76,88)(H3,68,70,75)/t46?,47?,61-,62-,64?,65?,66+,67+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors. |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474629
(CHEMBL415006)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cc12)ccc3O |TLB:65:64:88.68.67:83.81.82,84:83:64:88.68.67,73:88:64:83.81.82,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(76-38-11-12-43-40(25-38)42-27-68(91)48-24-36-9-13-45(82)60-55(36)65(68,62(92-60)58(42)78-43)17-21-81(48)33-35-7-8-35)71-20-2-19-70-51(86)28-74-52(87)29-72-49(84)15-16-50(85)73-30-53(88)75-31-54(89)77-44-4-1-3-39-41-26-67(90)47-23-37-10-14-46(83)61-56(37)66(67,18-22-80(47)32-34-5-6-34)63(93-61)59(41)79-57(39)44/h1,3-4,9-14,25,34-35,47-48,62-63,78-79,82-83,90-91H,2,5-8,15-24,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,77,89)(H3,69,71,76)/t47?,48?,62-,63-,65?,66?,67+,68+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors. |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474623
(CHEMBL410574)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2c(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCCNC(=O)c4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cccc12)ccc3O |TLB:70:85:61:80.78.79,81:80:61:85.65.64,62:61:85.65.64:80.78.79,THB:9:8:16:4.5.6,17:16:4.5.6:8.14.13,3:4:16:8.14.13| Show InChI InChI=1S/C68H75N11O13/c80-44-14-12-36-24-46-67(89)26-41-38-4-1-6-40(56(38)76-58(41)62-65(67,54(36)60(44)91-62)18-22-78(46)32-34-8-9-34)64(88)70-21-3-20-69-50(84)28-73-51(85)29-71-48(82)16-17-49(83)72-30-52(86)74-31-53(87)75-43-7-2-5-39-42-27-68(90)47-25-37-13-15-45(81)61-55(37)66(68,19-23-79(47)33-35-10-11-35)63(92-61)59(42)77-57(39)43/h1-2,4-7,12-15,34-35,46-47,62-63,76-77,80-81,89-90H,3,8-11,16-33H2,(H,69,84)(H,70,88)(H,71,82)(H,72,83)(H,73,85)(H,74,86)(H,75,87)/t46?,47?,62-,63-,65?,66?,67+,68+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474625
(CHEMBL611140)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6| Show InChI InChI=1S/C64H71N11O10/c65-60(70-36-11-12-41-38(25-36)40-27-64(83)46-24-34-9-13-43(76)56-51(34)61(64,58(84-56)54(40)72-41)17-21-75(46)31-33-7-8-33)67-20-2-19-66-49(80)28-68-47(78)15-16-48(79)69-29-50(81)71-42-4-1-3-37-39-26-63(82)45-23-35-10-14-44(77)57-52(35)62(63,18-22-74(45)30-32-5-6-32)59(85-57)55(39)73-53(37)42/h1,3-4,9-14,25,32-33,45-46,58-59,72-73,76-77,82-83H,2,5-8,15-24,26-31H2,(H,66,80)(H,68,78)(H,69,79)(H,71,81)(H3,65,67,70)/t45-,46-,58+,59+,61+,62+,63-,64-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474623
(CHEMBL410574)Show SMILES [H][C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(O)Cc1c2[nH]c2c(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCCNC(=O)c4cccc5c6C[C@@]7(O)C8Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)C7(CCN8CC4CC4)c9%10)cccc12)ccc3O |TLB:70:85:61:80.78.79,81:80:61:85.65.64,62:61:85.65.64:80.78.79,THB:9:8:16:4.5.6,17:16:4.5.6:8.14.13,3:4:16:8.14.13| Show InChI InChI=1S/C68H75N11O13/c80-44-14-12-36-24-46-67(89)26-41-38-4-1-6-40(56(38)76-58(41)62-65(67,54(36)60(44)91-62)18-22-78(46)32-34-8-9-34)64(88)70-21-3-20-69-50(84)28-73-51(85)29-71-48(82)16-17-49(83)72-30-52(86)74-31-53(87)75-43-7-2-5-39-42-27-68(90)47-25-37-13-15-45(81)61-55(37)66(68,19-23-79(47)33-35-10-11-35)63(92-61)59(42)77-57(39)43/h1-2,4-7,12-15,34-35,46-47,62-63,76-77,80-81,89-90H,3,8-11,16-33H2,(H,69,84)(H,70,88)(H,71,82)(H,72,83)(H,73,85)(H,74,86)(H,75,87)/t46?,47?,62-,63-,65?,66?,67+,68+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474627
(CHEMBL440626)Show SMILES [H][C@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(O)Cc1c2[nH]c2ccc(NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)NCCC\N=C(/N)Nc4ccc5[nH]c6c(C[C@]7(O)C8Cc9ccc(O)c%10O[C@@]6([H])C7(CCN8CC6CC6)c9%10)c5c4)cc12)ccc3O |TLB:66:65:86.69.68:81.79.80,82:81:65:86.69.68,74:86:65:81.79.80,THB:17:16:4.5.6:8.14.13,9:8:16:4.5.6,3:4:16:8.14.13| Show InChI InChI=1S/C68H77N13O12/c69-64(77-39-9-11-45-41(25-39)43-27-68(91)49-23-37-7-13-47(83)61-57(37)66(68,63(93-61)59(43)79-45)17-21-81(49)33-35-4-5-35)71-19-1-18-70-52(86)28-74-53(87)29-72-50(84)14-15-51(85)73-30-54(88)75-31-55(89)76-38-8-10-44-40(24-38)42-26-67(90)48-22-36-6-12-46(82)60-56(36)65(67,62(92-60)58(42)78-44)16-20-80(48)32-34-2-3-34/h6-13,24-25,34-35,48-49,62-63,78-79,82-83,90-91H,1-5,14-23,26-33H2,(H,70,86)(H,72,84)(H,73,85)(H,74,87)(H,75,88)(H,76,89)(H3,69,71,77)/t48?,49?,62-,63-,65?,66?,67+,68+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
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