Found 18 hits with Last Name = 'koszegi' and Initial = 'z' 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 |
|---|
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511258
(CHEMBL4438046)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:55,THB:10:9:17:4.5.6| Show InChI InChI=1S/C66H78N10O12S2/c1-63(2)46-33-42(89(82,83)84)20-23-49(46)74(5)52(63)13-8-6-9-14-53-64(3,4)47-34-43(90(85,86)87)21-24-50(47)76(53)29-11-7-10-15-55(78)70-37-57(80)71-36-56(79)68-27-12-28-69-62(67)72-41-19-22-48-44(32-41)45-35-66(81)54-31-40-18-25-51(77)60-58(40)65(66,61(88-60)59(45)73-48)26-30-75(54)38-39-16-17-39/h6,8-9,13-14,18-25,32-34,39,54,61,73,81H,7,10-12,15-17,26-31,35-38H2,1-5H3,(H8-,67,68,69,70,71,72,77,78,79,80,82,83,84,85,86,87)/t54-,61+,65+,66-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511255
(CHEMBL4463414)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C62H72N8O10S2/c1-59(2)44-33-40(81(74,75)76)20-23-47(44)68(5)50(59)13-8-6-9-14-51-60(3,4)45-34-41(82(77,78)79)21-24-48(45)70(51)29-11-7-10-15-53(72)64-27-12-28-65-58(63)66-39-19-22-46-42(32-39)43-35-62(73)52-31-38-18-25-49(71)56-54(38)61(62,57(80-56)55(43)67-46)26-30-69(52)36-37-16-17-37/h6,8-9,13-14,18-25,32-34,37,52,57,67,73H,7,10-12,15-17,26-31,35-36H2,1-5H3,(H6-,63,64,65,66,71,72,74,75,76,77,78,79)/t52-,57+,61+,62-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511256
(CHEMBL4514226)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C68H82N12O14S2/c1-65(2)46-31-42(95(88,89)90)18-21-49(46)78(5)52(65)11-9-12-53-66(3,4)47-32-43(96(91,92)93)19-22-50(47)80(53)27-8-6-7-13-55(82)72-35-57(84)74-37-59(86)75-36-58(85)73-34-56(83)70-25-10-26-71-64(69)76-41-17-20-48-44(30-41)45-33-68(87)54-29-40-16-23-51(81)62-60(40)67(68,63(94-62)61(45)77-48)24-28-79(54)38-39-14-15-39/h9,11-12,16-23,30-32,39,54,63,77,87H,6-8,10,13-15,24-29,33-38H2,1-5H3,(H10-,69,70,71,72,73,74,75,76,81,82,83,84,85,86,88,89,90,91,92,93)/t54-,63+,67+,68-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511259
(CHEMBL4459592)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C60H70N8O10S2/c1-57(2)42-31-38(79(72,73)74)18-21-45(42)66(5)48(57)11-9-12-49-58(3,4)43-32-39(80(75,76)77)19-22-46(43)68(49)27-8-6-7-13-51(70)62-25-10-26-63-56(61)64-37-17-20-44-40(30-37)41-33-60(71)50-29-36-16-23-47(69)54-52(36)59(60,55(78-54)53(41)65-44)24-28-67(50)34-35-14-15-35/h9,11-12,16-23,30-32,35,50,55,65,71H,6-8,10,13-15,24-29,33-34H2,1-5H3,(H6-,61,62,63,64,69,70,72,73,74,75,76,77)/t50-,55+,59+,60-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human KOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50511259
(CHEMBL4459592)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C60H70N8O10S2/c1-57(2)42-31-38(79(72,73)74)18-21-45(42)66(5)48(57)11-9-12-49-58(3,4)43-32-39(80(75,76)77)19-22-46(43)68(49)27-8-6-7-13-51(70)62-25-10-26-63-56(61)64-37-17-20-44-40(30-37)41-33-60(71)50-29-36-16-23-47(69)54-52(36)59(60,55(78-54)53(41)65-44)24-28-67(50)34-35-14-15-35/h9,11-12,16-23,30-32,35,50,55,65,71H,6-8,10,13-15,24-29,33-34H2,1-5H3,(H6-,61,62,63,64,69,70,72,73,74,75,76,77)/t50-,55+,59+,60-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50511255
(CHEMBL4463414)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C62H72N8O10S2/c1-59(2)44-33-40(81(74,75)76)20-23-47(44)68(5)50(59)13-8-6-9-14-51-60(3,4)45-34-41(82(77,78)79)21-24-48(45)70(51)29-11-7-10-15-53(72)64-27-12-28-65-58(63)66-39-19-22-46-42(32-39)43-35-62(73)52-31-38-18-25-49(71)56-54(38)61(62,57(80-56)55(43)67-46)26-30-69(52)36-37-16-17-37/h6,8-9,13-14,18-25,32-34,37,52,57,67,73H,7,10-12,15-17,26-31,35-36H2,1-5H3,(H6-,63,64,65,66,71,72,74,75,76,77,78,79)/t52-,57+,61+,62-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50511255
(CHEMBL4463414)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C62H72N8O10S2/c1-59(2)44-33-40(81(74,75)76)20-23-47(44)68(5)50(59)13-8-6-9-14-51-60(3,4)45-34-41(82(77,78)79)21-24-48(45)70(51)29-11-7-10-15-53(72)64-27-12-28-65-58(63)66-39-19-22-46-42(32-39)43-35-62(73)52-31-38-18-25-49(71)56-54(38)61(62,57(80-56)55(43)67-46)26-30-69(52)36-37-16-17-37/h6,8-9,13-14,18-25,32-34,37,52,57,67,73H,7,10-12,15-17,26-31,35-36H2,1-5H3,(H6-,63,64,65,66,71,72,74,75,76,77,78,79)/t52-,57+,61+,62-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50511258
(CHEMBL4438046)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:55,THB:10:9:17:4.5.6| Show InChI InChI=1S/C66H78N10O12S2/c1-63(2)46-33-42(89(82,83)84)20-23-49(46)74(5)52(63)13-8-6-9-14-53-64(3,4)47-34-43(90(85,86)87)21-24-50(47)76(53)29-11-7-10-15-55(78)70-37-57(80)71-36-56(79)68-27-12-28-69-62(67)72-41-19-22-48-44(32-41)45-35-66(81)54-31-40-18-25-51(77)60-58(40)65(66,61(88-60)59(45)73-48)26-30-75(54)38-39-16-17-39/h6,8-9,13-14,18-25,32-34,39,54,61,73,81H,7,10-12,15-17,26-31,35-38H2,1-5H3,(H8-,67,68,69,70,71,72,77,78,79,80,82,83,84,85,86,87)/t54-,61+,65+,66-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50511258
(CHEMBL4438046)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:55,THB:10:9:17:4.5.6| Show InChI InChI=1S/C66H78N10O12S2/c1-63(2)46-33-42(89(82,83)84)20-23-49(46)74(5)52(63)13-8-6-9-14-53-64(3,4)47-34-43(90(85,86)87)21-24-50(47)76(53)29-11-7-10-15-55(78)70-37-57(80)71-36-56(79)68-27-12-28-69-62(67)72-41-19-22-48-44(32-41)45-35-66(81)54-31-40-18-25-51(77)60-58(40)65(66,61(88-60)59(45)73-48)26-30-75(54)38-39-16-17-39/h6,8-9,13-14,18-25,32-34,39,54,61,73,81H,7,10-12,15-17,26-31,35-38H2,1-5H3,(H8-,67,68,69,70,71,72,77,78,79,80,82,83,84,85,86,87)/t54-,61+,65+,66-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 106 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50511256
(CHEMBL4514226)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C68H82N12O14S2/c1-65(2)46-31-42(95(88,89)90)18-21-49(46)78(5)52(65)11-9-12-53-66(3,4)47-32-43(96(91,92)93)19-22-50(47)80(53)27-8-6-7-13-55(82)72-35-57(84)74-37-59(86)75-36-58(85)73-34-56(83)70-25-10-26-71-64(69)76-41-17-20-48-44(30-41)45-33-68(87)54-29-40-16-23-51(81)62-60(40)67(68,63(94-62)61(45)77-48)24-28-79(54)38-39-14-15-39/h9,11-12,16-23,30-32,39,54,63,77,87H,6-8,10,13-15,24-29,33-38H2,1-5H3,(H10-,69,70,71,72,73,74,75,76,81,82,83,84,85,86,88,89,90,91,92,93)/t54-,63+,67+,68-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50511256
(CHEMBL4514226)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C68H82N12O14S2/c1-65(2)46-31-42(95(88,89)90)18-21-49(46)78(5)52(65)11-9-12-53-66(3,4)47-32-43(96(91,92)93)19-22-50(47)80(53)27-8-6-7-13-55(82)72-35-57(84)74-37-59(86)75-36-58(85)73-34-56(83)70-25-10-26-71-64(69)76-41-17-20-48-44(30-41)45-33-68(87)54-29-40-16-23-51(81)62-60(40)67(68,63(94-62)61(45)77-48)24-28-79(54)38-39-14-15-39/h9,11-12,16-23,30-32,39,54,63,77,87H,6-8,10,13-15,24-29,33-38H2,1-5H3,(H10-,69,70,71,72,73,74,75,76,81,82,83,84,85,86,88,89,90,91,92,93)/t54-,63+,67+,68-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human DOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50511259
(CHEMBL4459592)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C60H70N8O10S2/c1-57(2)42-31-38(79(72,73)74)18-21-45(42)66(5)48(57)11-9-12-49-58(3,4)43-32-39(80(75,76)77)19-22-46(43)68(49)27-8-6-7-13-51(70)62-25-10-26-63-56(61)64-37-17-20-44-40(30-37)41-33-60(71)50-29-36-16-23-47(69)54-52(36)59(60,55(78-54)53(41)65-44)24-28-67(50)34-35-14-15-35/h9,11-12,16-23,30-32,35,50,55,65,71H,6-8,10,13-15,24-29,33-34H2,1-5H3,(H6-,61,62,63,64,69,70,72,73,74,75,76,77)/t50-,55+,59+,60-/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from recombinant human MOR transiently expressed in HEK293 cell membranes measured after 60 mins |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511257
(CHEMBL4577693)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:63,THB:10:9:17:4.5.6| Show InChI InChI=1S/C70H84N12O14S2/c1-67(2)48-33-44(97(90,91)92)20-23-51(48)80(5)54(67)13-8-6-9-14-55-68(3,4)49-34-45(98(93,94)95)21-24-52(49)82(55)29-11-7-10-15-57(84)74-37-59(86)76-39-61(88)77-38-60(87)75-36-58(85)72-27-12-28-73-66(71)78-43-19-22-50-46(32-43)47-35-70(89)56-31-42-18-25-53(83)64-62(42)69(70,65(96-64)63(47)79-50)26-30-81(56)40-41-16-17-41/h6,8-9,13-14,18-25,32-34,41,56,65,79,89H,7,10-12,15-17,26-31,35-40H2,1-5H3,(H10-,71,72,73,74,75,76,77,78,83,84,85,86,87,88,90,91,92,93,94,95)/t56-,65+,69+,70-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511259
(CHEMBL4459592)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C60H70N8O10S2/c1-57(2)42-31-38(79(72,73)74)18-21-45(42)66(5)48(57)11-9-12-49-58(3,4)43-32-39(80(75,76)77)19-22-46(43)68(49)27-8-6-7-13-51(70)62-25-10-26-63-56(61)64-37-17-20-44-40(30-37)41-33-60(71)50-29-36-16-23-47(69)54-52(36)59(60,55(78-54)53(41)65-44)24-28-67(50)34-35-14-15-35/h9,11-12,16-23,30-32,35,50,55,65,71H,6-8,10,13-15,24-29,33-34H2,1-5H3,(H6-,61,62,63,64,69,70,72,73,74,75,76,77)/t50-,55+,59+,60-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50511255
(CHEMBL4463414)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(NC(=N)NCCCNC(=O)CCCCC[N+]4=C(\C=C\C=C\C=C5\N(C)c6ccc(cc6C5(C)C)S(O)(=O)=O)C(C)(C)c5cc(ccc45)S([O-])(=O)=O)cc12)ccc3O |r,c:47,THB:10:9:17:4.5.6| Show InChI InChI=1S/C62H72N8O10S2/c1-59(2)44-33-40(81(74,75)76)20-23-47(44)68(5)50(59)13-8-6-9-14-51-60(3,4)45-34-41(82(77,78)79)21-24-48(45)70(51)29-11-7-10-15-53(72)64-27-12-28-65-58(63)66-39-19-22-46-42(32-39)43-35-62(73)52-31-38-18-25-49(71)56-54(38)61(62,57(80-56)55(43)67-46)26-30-69(52)36-37-16-17-37/h6,8-9,13-14,18-25,32-34,37,52,57,67,73H,7,10-12,15-17,26-31,35-36H2,1-5H3,(H6-,63,64,65,66,71,72,74,75,76,77,78,79)/t52-,57+,61+,62-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a |
Julius Maximilian University of W£rzburg
Curated by ChEMBL
| Assay Description
Binding affinity to recombinant human KOR transiently expressed in CHOK1 cells measured after 20 mins by TIRF microscopic analysis |
J Med Chem 63: 3596-3609 (2020)
Article DOI: 10.1021/acs.jmedchem.9b02011
BindingDB Entry DOI: 10.7270/Q2445QTK |
More data for this
Ligand-Target Pair | |
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