Found 308 hits with Last Name = 'macedonio' and Initial = 'g' 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)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.269 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.270 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21014
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=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 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21123
((2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C23H29N5O5/c1-14(27-23(33)18(24)11-16-7-9-17(29)10-8-16)22(32)26-13-20(30)28-19(21(25)31)12-15-5-3-2-4-6-15/h2-10,14,18-19,29H,11-13,24H2,1H3,(H2,25,31)(H,26,32)(H,27,33)(H,28,30)/t14-,18+,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.870 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275107
(CHEMBL4130303)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H70N10O10S4/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)63-45-29-77-78-30-46(64-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)54(74)60-28-48(68)62-44(24-36-13-9-6-10-14-36)52(72)58-16-18-76-75-17-15-57-51(71)43(23-35-11-7-5-8-12-35)61-47(67)27-59-53(45)73/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,73)(H,60,74)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.871 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457149
(CHEMBL4213910)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-15-19-39(65)20-16-35)49(69)61-45-31-75-29-37-13-7-8-14-38(37)30-76-32-46(62-50(70)42(56)24-36-17-21-40(66)22-18-36)52(72)58-28-48(68)60-44(26-34-11-5-2-6-12-34)54(74)64-63-53(73)43(25-33-9-3-1-4-10-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457147
(CHEMBL4209510)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)cc2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-15-19-39(65)20-16-35)49(69)61-45-31-75-29-37-11-13-38(14-12-37)30-76-32-46(62-50(70)42(56)24-36-17-21-40(66)22-18-36)52(72)58-28-48(68)60-44(26-34-9-5-2-6-10-34)54(74)64-63-53(73)43(25-33-7-3-1-4-8-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457148
(CHEMBL4204649)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-14-18-39(65)19-15-35)49(69)61-45-31-75-29-37-12-7-13-38(22-37)30-76-32-46(62-50(70)42(56)24-36-16-20-40(66)21-17-36)52(72)58-28-48(68)60-44(26-34-10-5-2-6-11-34)54(74)64-63-53(73)43(25-33-8-3-1-4-9-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50116436
(CHEMBL3604416)Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5311-8 (2015)
Article DOI: 10.1016/j.bmc.2015.07.066
BindingDB Entry DOI: 10.7270/Q2D50PQR |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50515052
(CHEMBL4575678)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12 |r| Show InChI InChI=1S/C49H53N7O7/c1-32(54-48(62)41(50)27-34-21-23-36(57)24-22-34)47(61)52-30-45(59)55-42(28-33-13-4-2-5-14-33)49(63)53-29-44(58)51-25-10-3-11-26-56-31-40(38-18-8-9-20-43(38)56)46(60)39-19-12-16-35-15-6-7-17-37(35)39/h2,4-9,12-24,31-32,41-42,57H,3,10-11,25-30,50H2,1H3,(H,51,58)(H,52,61)(H,53,63)(H,54,62)(H,55,59)/t32-,41+,42+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275108
(CHEMBL4129668)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C50H62N10O10S4/c51-37(23-33-11-15-35(61)16-12-33)45(65)59-41-29-73-74-30-42(60-46(66)38(52)24-34-13-17-36(62)18-14-34)50(70)56-28-44(64)58-40(26-32-9-5-2-6-10-32)48(68)54-20-22-72-71-21-19-53-47(67)39(25-31-7-3-1-4-8-31)57-43(63)27-55-49(41)69/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t37-,38-,39-,40-,41+,42+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457149
(CHEMBL4213910)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-15-19-39(65)20-16-35)49(69)61-45-31-75-29-37-13-7-8-14-38(37)30-76-32-46(62-50(70)42(56)24-36-17-21-40(66)22-18-36)52(72)58-28-48(68)60-44(26-34-11-5-2-6-12-34)54(74)64-63-53(73)43(25-33-9-3-1-4-10-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275108
(CHEMBL4129668)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C50H62N10O10S4/c51-37(23-33-11-15-35(61)16-12-33)45(65)59-41-29-73-74-30-42(60-46(66)38(52)24-34-13-17-36(62)18-14-34)50(70)56-28-44(64)58-40(26-32-9-5-2-6-10-32)48(68)54-20-22-72-71-21-19-53-47(67)39(25-31-7-3-1-4-8-31)57-43(63)27-55-49(41)69/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t37-,38-,39-,40-,41+,42+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.40 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457147
(CHEMBL4209510)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)cc2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-15-19-39(65)20-16-35)49(69)61-45-31-75-29-37-11-13-38(14-12-37)30-76-32-46(62-50(70)42(56)24-36-17-21-40(66)22-18-36)52(72)58-28-48(68)60-44(26-34-9-5-2-6-10-34)54(74)64-63-53(73)43(25-33-7-3-1-4-8-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50116389
(CHEMBL3604509)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5311-8 (2015)
Article DOI: 10.1016/j.bmc.2015.07.066
BindingDB Entry DOI: 10.7270/Q2D50PQR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.90 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50353747
(CHEMBL561013 | JWH-018)Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-55,212-2 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM50353747
(CHEMBL561013 | JWH-018)Show InChI InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21014
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=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 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50457148
(CHEMBL4204649)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NNC(=O)[C@H](Cc3ccccc3)NC(=O)CNC1=O)c2 |r| Show InChI InChI=1S/C54H62N10O10S2.2C2HF3O2/c55-41(23-35-14-18-39(65)19-15-35)49(69)61-45-31-75-29-37-12-7-13-38(22-37)30-76-32-46(62-50(70)42(56)24-36-16-20-40(66)21-17-36)52(72)58-28-48(68)60-44(26-34-10-5-2-6-11-34)54(74)64-63-53(73)43(25-33-8-3-1-4-9-33)59-47(67)27-57-51(45)71;2*3-2(4,5)1(6)7/h1-22,41-46,65-66H,23-32,55-56H2,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)(H,63,73)(H,64,74);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275108
(CHEMBL4129668)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C50H62N10O10S4/c51-37(23-33-11-15-35(61)16-12-33)45(65)59-41-29-73-74-30-42(60-46(66)38(52)24-34-13-17-36(62)18-14-34)50(70)56-28-44(64)58-40(26-32-9-5-2-6-10-32)48(68)54-20-22-72-71-21-19-53-47(67)39(25-31-7-3-1-4-8-31)57-43(63)27-55-49(41)69/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t37-,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
| 4 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50275108
(CHEMBL4129668)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C50H62N10O10S4/c51-37(23-33-11-15-35(61)16-12-33)45(65)59-41-29-73-74-30-42(60-46(66)38(52)24-34-13-17-36(62)18-14-34)50(70)56-28-44(64)58-40(26-32-9-5-2-6-10-32)48(68)54-20-22-72-71-21-19-53-47(67)39(25-31-7-3-1-4-8-31)57-43(63)27-55-49(41)69/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,69)(H,56,70)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t37-,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
| 4.10 | 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]DADLE from DOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM21008
((4S,7S,13S)-13-[(2S)-2-amino-3-(4-hydroxyphenyl)pr...)Show SMILES CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O Show InChI InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara"G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from delta opioid receptor in Wistar rat brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 449-454 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00044
BindingDB Entry DOI: 10.7270/Q22F7QP1 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM21014
((2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N'-[(2S)-2-{2-[...)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=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 Show InChI InChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Binding affinity to DOR (unknown origin) |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526893
(CHEMBL4586954)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C54H60F2N10O10S2.2C2HF3O2/c55-37-13-5-33(6-14-37)23-43-53(75)65-66-54(76)44(24-34-7-15-38(56)16-8-34)62-48(70)26-60-52(74)46(64-50(72)42(58)22-32-11-19-40(68)20-12-32)30-78-28-36-4-2-1-3-35(36)27-77-29-45(51(73)59-25-47(69)61-43)63-49(71)41(57)21-31-9-17-39(67)18-10-31;2*3-2(4,5)1(6)7/h1-20,41-46,67-68H,21-30,57-58H2,(H,59,73)(H,60,74)(H,61,69)(H,62,70)(H,63,71)(H,64,72)(H,65,75)(H,66,76);2*(H,6,7)/t41-,42-,43-,44-,45+,46+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275111
(CHEMBL4126803)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:10.10,15.15,61.65,wD:20.21,24.26,43.45,(24.8,-11.26,;26.16,-10.47,;26.16,-8.93,;27.49,-8.16,;27.49,-6.62,;28.83,-8.93,;28.83,-10.47,;30.19,-11.26,;27.49,-11.24,;27.49,-12.78,;26.16,-13.55,;24.82,-12.78,;26.16,-15.09,;24.83,-15.86,;27.49,-15.86,;27.49,-17.41,;26.16,-18.18,;26.16,-19.72,;28.83,-22.8,;28.83,-24.34,;30.16,-25.11,;30.16,-26.65,;28.82,-27.42,;27.49,-26.65,;28.82,-28.96,;27.49,-29.74,;30.16,-29.74,;30.16,-31.28,;28.82,-32.05,;27.46,-31.26,;28.82,-33.59,;30.16,-34.36,;30.16,-35.9,;31.5,-33.59,;31.5,-32.05,;32.86,-31.26,;31.49,-24.34,;31.49,-22.8,;32.83,-25.11,;34.17,-24.34,;35.5,-25.11,;35.5,-26.65,;36.83,-24.34,;36.83,-22.8,;38.17,-22.03,;39.5,-22.8,;40.83,-22.03,;42.17,-22.8,;42.17,-24.34,;40.83,-25.11,;39.5,-24.34,;35.5,-22.03,;34.17,-22.8,;35.5,-20.49,;34.17,-19.72,;34.17,-18.18,;35.5,-17.41,;36.83,-18.18,;36.83,-19.72,;35.5,-15.86,;36.83,-15.09,;34.17,-15.09,;34.17,-13.55,;35.5,-12.78,;36.83,-13.55,;38.17,-12.78,;38.17,-11.24,;36.83,-10.47,;35.5,-11.24,;32.83,-15.86,;31.49,-15.09,;31.49,-13.55,;30.16,-15.86,;30.16,-17.41,;28.83,-18.18,;28.83,-19.72,)| Show InChI InChI=1S/C54H68N10O10S2/c1-31-19-37(65)20-32(2)39(31)25-41(55)49(69)61-45-29-75-76-30-46(62-50(70)42(56)26-40-33(3)21-38(66)22-34(40)4)52(72)58-28-48(68)60-44(24-36-13-9-6-10-14-36)54(74)64-17-15-63(16-18-64)53(73)43(23-35-11-7-5-8-12-35)59-47(67)27-57-51(45)71/h5-14,19-22,41-46,65-66H,15-18,23-30,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t41-,42-,43-,44-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.90 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50176702
((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/m0/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 |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]lleDelt2 from DOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50275109
(CHEMBL4128853)Show SMILES CC1(C)SSC(C)(C)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1 |r,wU:66.72,47.50,8.8,wD:62.67,12.13,29.30,(46.1,-18.88,;47.68,-18.88,;46.89,-17.52,;47.68,-20.42,;50.35,-23.5,;50.34,-25.04,;49.55,-26.39,;48.77,-25.03,;51.68,-25.81,;51.68,-27.35,;50.34,-28.12,;49.01,-27.35,;50.34,-29.66,;49.01,-30.44,;51.68,-30.44,;51.68,-31.98,;53.02,-32.75,;53.02,-34.29,;51.68,-35.06,;51.68,-36.6,;50.34,-34.29,;50.34,-32.75,;53.01,-25.04,;53.01,-23.5,;54.35,-25.81,;55.69,-25.04,;57.02,-25.81,;57.02,-27.35,;58.35,-25.04,;58.35,-23.5,;59.69,-22.73,;61.02,-23.5,;62.35,-22.73,;63.69,-23.5,;63.69,-25.04,;62.35,-25.81,;61.02,-25.04,;57.02,-22.73,;55.69,-23.5,;57.02,-21.19,;55.69,-20.42,;55.69,-18.88,;57.02,-18.11,;58.35,-18.88,;58.35,-20.42,;57.02,-16.56,;58.35,-15.79,;55.69,-15.79,;55.69,-14.25,;57.02,-13.48,;58.35,-14.25,;59.69,-13.48,;59.69,-11.94,;58.35,-11.17,;57.02,-11.94,;54.35,-16.56,;53.01,-15.79,;53.01,-14.25,;51.68,-16.56,;51.68,-18.11,;50.35,-18.88,;50.35,-20.42,;49.01,-18.11,;49.01,-16.56,;47.68,-15.79,;46.35,-16.56,;47.68,-14.25,;46.34,-13.48,;49.01,-13.48,;49.01,-11.94,;47.68,-11.17,;47.68,-9.63,;49.01,-8.86,;49.01,-7.32,;50.35,-9.63,;50.35,-11.17,)| Show InChI InChI=1S/C54H68N10O10S2/c1-53(2)45(61-47(69)39(55)27-35-15-19-37(65)20-16-35)49(71)57-31-43(67)59-41(29-33-11-7-5-8-12-33)51(73)63-23-25-64(26-24-63)52(74)42(30-34-13-9-6-10-14-34)60-44(68)32-58-50(72)46(54(3,4)76-75-53)62-48(70)40(56)28-36-17-21-38(66)22-18-36/h5-22,39-42,45-46,65-66H,23-32,55-56H2,1-4H3,(H,57,71)(H,58,72)(H,59,67)(H,60,68)(H,61,69)(H,62,70)/t39-,40-,41-,42-,45+,46+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.60 | 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]U69593 from KOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5311-8 (2015)
Article DOI: 10.1016/j.bmc.2015.07.066
BindingDB Entry DOI: 10.7270/Q2D50PQR |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50176702
((S)-2-amino-N-{(4S,10S,15S,21S)-21-[(S)-2-amino-3-...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O Show InChI InChI=1S/C46H54N10O10S2/c47-33(19-29-11-15-31(57)16-12-29)41(61)53-37-25-67-68-26-38(54-42(62)34(48)20-30-13-17-32(58)18-14-30)44(64)50-24-40(60)52-36(22-28-9-5-2-6-10-28)46(66)56-55-45(65)35(21-27-7-3-1-4-8-27)51-39(59)23-49-43(37)63/h1-18,33-38,57-58H,19-26,47-48H2,(H,49,63)(H,50,64)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,65)(H,56,66)/t33-,34-,35-,36-,37+,38+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat whole brain membranes after 45 mins by liquid scintillation counting method |
ACS Med Chem Lett 8: 858-863 (2017)
Article DOI: 10.1021/acsmedchemlett.7b00210
BindingDB Entry DOI: 10.7270/Q2S1853J |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1/2
(Rattus norvegicus (Rat)-Rattus norvegicus (rat)) | BDBM21281
((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...)Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]JWH-018 from CB1R/CB2R in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526891
(CHEMBL4473632)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r,wU:27.25,15.13,80.83,44.45,wD:61.62,40.40,(47.76,-44.43,;46.4,-43.65,;46.4,-42.08,;45.04,-44.43,;43.68,-43.65,;45.04,-45.99,;43.68,-45.21,;73.07,-40.39,;71.71,-39.61,;71.71,-38.04,;70.35,-40.39,;68.99,-39.61,;70.35,-41.95,;68.99,-41.17,;48.51,-39.83,;49.84,-39.06,;49.84,-37.52,;48.51,-36.76,;48.52,-35.22,;47.18,-34.45,;45.86,-35.22,;44.52,-34.45,;45.86,-36.76,;47.18,-37.52,;51.18,-39.83,;51.18,-41.37,;52.5,-39.06,;53.83,-39.84,;53.83,-41.4,;52.48,-42.17,;52.47,-43.73,;53.62,-45.44,;52.27,-46.21,;52.26,-47.76,;53.6,-48.55,;54.95,-47.77,;54.96,-46.22,;57.82,-46.78,;59.17,-45.99,;59.16,-44.43,;60.51,-43.65,;61.84,-44.41,;63.17,-43.64,;63.16,-42.1,;64.5,-44.39,;65.82,-43.62,;64.5,-45.93,;65.86,-46.71,;65.86,-48.27,;67.22,-49.04,;68.56,-48.26,;69.92,-49.02,;68.54,-46.69,;67.19,-45.92,;60.5,-42.11,;61.82,-41.33,;59.16,-41.35,;59.15,-39.81,;60.49,-39.04,;61.82,-39.8,;60.48,-37.5,;61.8,-36.73,;63.15,-37.49,;64.46,-36.72,;65.79,-37.49,;67.12,-36.71,;67.11,-35.17,;68.43,-34.39,;65.77,-34.41,;64.45,-35.19,;61.8,-35.19,;63.13,-34.42,;60.47,-34.43,;59.13,-35.2,;57.8,-34.44,;57.8,-32.9,;59.12,-32.13,;60.46,-32.89,;56.46,-32.15,;56.45,-30.6,;55.14,-32.91,;53.8,-32.16,;53.79,-30.61,;55.12,-29.85,;55.12,-28.32,;53.79,-27.55,;53.78,-26.01,;52.45,-28.34,;52.46,-29.87,;55.14,-34.45,;53.81,-35.23,;52.48,-34.46,;53.82,-36.76,;55.16,-37.52,;55.16,-39.06,;56.49,-39.82,)| Show InChI InChI=1S/C58H66F2N10O10S2.2C2HF3O2/c59-41-13-5-37(6-14-41)27-47-57(79)69-21-23-70(24-22-69)58(80)48(28-38-7-15-42(60)16-8-38)66-52(74)30-64-56(78)50(68-54(76)46(62)26-36-11-19-44(72)20-12-36)34-82-32-40-4-2-1-3-39(40)31-81-33-49(55(77)63-29-51(73)65-47)67-53(75)45(61)25-35-9-17-43(71)18-10-35;2*3-2(4,5)1(6)7/h1-20,45-50,71-72H,21-34,61-62H2,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50526894
(CHEMBL4539430)Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |r| Show InChI InChI=1S/C58H68F2N10O10S2.2C2HF3O2/c1-31-17-41(71)18-32(2)43(31)23-45(61)53(75)67-49-29-81-27-37-7-5-6-8-38(37)28-82-30-50(68-54(76)46(62)24-44-33(3)19-42(72)20-34(44)4)56(78)64-26-52(74)66-48(22-36-11-15-40(60)16-12-36)58(80)70-69-57(79)47(65-51(73)25-63-55(49)77)21-35-9-13-39(59)14-10-35;2*3-2(4,5)1(6)7/h5-20,45-50,71-72H,21-30,61-62H2,1-4H3,(H,63,77)(H,64,78)(H,65,73)(H,66,74)(H,67,75)(H,68,76)(H,69,79)(H,70,80);2*(H,6,7)/t45-,46-,47-,48-,49+,50+;;/m0../s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Chieti-Pescara "G. d'Annunzio"
Curated by ChEMBL
| Assay Description
Displacement of [3H]-diprenorphine from human DOR expressed in CHO cell membranes incubated for 1 hr by scintillation counting method |
J Med Chem 63: 2673-2687 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01963
BindingDB Entry DOI: 10.7270/Q2BG2SFN |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50116443
(CHEMBL3604409)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5311-8 (2015)
Article DOI: 10.1016/j.bmc.2015.07.066
BindingDB Entry DOI: 10.7270/Q2D50PQR |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 12
(Homo sapiens (Human)) | BDBM50116441
(CHEMBL3604411)Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
'G. D'Annunzio' University of Chieti-Pescara
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay |
Bioorg Med Chem 23: 5311-8 (2015)
Article DOI: 10.1016/j.bmc.2015.07.066
BindingDB Entry DOI: 10.7270/Q2D50PQR |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275110
(CHEMBL4130069)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:1.1,13.13,57.61,wD:18.19,22.24,39.41,(4.38,-11.48,;5.71,-12.25,;7.04,-11.48,;7.04,-9.94,;5.71,-9.17,;5.71,-7.63,;7.04,-6.86,;7.04,-5.32,;8.38,-7.63,;8.38,-9.17,;5.71,-13.79,;4.38,-14.56,;7.04,-14.56,;7.04,-16.11,;5.71,-16.88,;5.71,-18.42,;8.38,-21.5,;8.38,-23.04,;9.72,-23.81,;9.72,-25.35,;8.38,-26.12,;7.04,-25.35,;8.38,-27.66,;7.04,-28.44,;9.72,-28.44,;9.72,-29.98,;11.05,-30.75,;11.05,-32.29,;9.72,-33.06,;9.72,-34.6,;8.38,-32.29,;8.38,-30.75,;11.05,-23.04,;11.05,-21.5,;12.38,-23.81,;13.72,-23.04,;15.05,-23.81,;15.05,-25.35,;16.38,-23.04,;16.38,-21.5,;17.72,-20.73,;19.06,-21.5,;20.39,-20.73,;21.72,-21.5,;21.72,-23.04,;20.39,-23.81,;19.06,-23.04,;15.05,-20.73,;13.72,-21.5,;15.05,-19.19,;13.72,-18.42,;13.72,-16.88,;15.05,-16.11,;16.38,-16.88,;16.38,-18.42,;15.05,-14.56,;16.38,-13.79,;13.72,-13.79,;13.72,-12.25,;15.05,-11.48,;16.38,-12.25,;17.72,-11.48,;17.72,-9.94,;16.38,-9.17,;15.05,-9.94,;12.38,-14.56,;11.05,-13.79,;11.05,-12.25,;9.71,-14.56,;9.71,-16.11,;8.38,-16.88,;8.38,-18.42,)| Show InChI InChI=1S/C50H60N10O10S2/c51-37(23-33-11-15-35(61)16-12-33)45(65)57-41-29-71-72-30-42(58-46(66)38(52)24-34-13-17-36(62)18-14-34)48(68)54-28-44(64)56-40(26-32-9-5-2-6-10-32)50(70)60-21-19-59(20-22-60)49(69)39(25-31-7-3-1-4-8-31)55-43(63)27-53-47(41)67/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,63)(H,56,64)(H,57,65)(H,58,66)/t37-,38-,39-,40-,41+,42+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50275110
(CHEMBL4130069)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC2)C(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O |r,wU:1.1,13.13,57.61,wD:18.19,22.24,39.41,(4.38,-11.48,;5.71,-12.25,;7.04,-11.48,;7.04,-9.94,;5.71,-9.17,;5.71,-7.63,;7.04,-6.86,;7.04,-5.32,;8.38,-7.63,;8.38,-9.17,;5.71,-13.79,;4.38,-14.56,;7.04,-14.56,;7.04,-16.11,;5.71,-16.88,;5.71,-18.42,;8.38,-21.5,;8.38,-23.04,;9.72,-23.81,;9.72,-25.35,;8.38,-26.12,;7.04,-25.35,;8.38,-27.66,;7.04,-28.44,;9.72,-28.44,;9.72,-29.98,;11.05,-30.75,;11.05,-32.29,;9.72,-33.06,;9.72,-34.6,;8.38,-32.29,;8.38,-30.75,;11.05,-23.04,;11.05,-21.5,;12.38,-23.81,;13.72,-23.04,;15.05,-23.81,;15.05,-25.35,;16.38,-23.04,;16.38,-21.5,;17.72,-20.73,;19.06,-21.5,;20.39,-20.73,;21.72,-21.5,;21.72,-23.04,;20.39,-23.81,;19.06,-23.04,;15.05,-20.73,;13.72,-21.5,;15.05,-19.19,;13.72,-18.42,;13.72,-16.88,;15.05,-16.11,;16.38,-16.88,;16.38,-18.42,;15.05,-14.56,;16.38,-13.79,;13.72,-13.79,;13.72,-12.25,;15.05,-11.48,;16.38,-12.25,;17.72,-11.48,;17.72,-9.94,;16.38,-9.17,;15.05,-9.94,;12.38,-14.56,;11.05,-13.79,;11.05,-12.25,;9.71,-14.56,;9.71,-16.11,;8.38,-16.88,;8.38,-18.42,)| Show InChI InChI=1S/C50H60N10O10S2/c51-37(23-33-11-15-35(61)16-12-33)45(65)57-41-29-71-72-30-42(58-46(66)38(52)24-34-13-17-36(62)18-14-34)48(68)54-28-44(64)56-40(26-32-9-5-2-6-10-32)50(70)60-21-19-59(20-22-60)49(69)39(25-31-7-3-1-4-8-31)55-43(63)27-53-47(41)67/h1-18,37-42,61-62H,19-30,51-52H2,(H,53,67)(H,54,68)(H,55,63)(H,56,64)(H,57,65)(H,58,66)/t37-,38-,39-,40-,41+,42+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | 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 MOR (unknown origin) expressed in HEK cells |
Bioorg Med Chem 26: 3664-3667 (2018)
Article DOI: 10.1016/j.bmc.2018.05.045
BindingDB Entry DOI: 10.7270/Q2JW8HD5 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50370595
(OXYCODONE | Oxycontin | US1184575, oxycodone | US9...)Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O |TLB:20:21:16.5.6:8.11.10,THB:22:21:16.5.6:8.11.10| Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biological Research Centre of the Hungarian Academy of Sciences
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from MOR in Wistar rat brain membranes after 60 mins by liquid scintillation analysis |
Eur J Med Chem 178: 571-588 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.037
BindingDB Entry DOI: 10.7270/Q2Z60SD8 |
More data for this
Ligand-Target Pair | |
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