Found 53 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.430 | 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]BK from B2R in guinea pig ileum membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121683
(CHEMBL3616885)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C88H126N26O20S/c1-48(104-75(123)57(89)36-50-25-27-54(116)28-26-50)73(121)102-43-71(119)106-62(37-49-14-3-2-4-15-49)76(124)101-42-58(90)74(122)97-33-29-70(118)105-59(20-9-30-98-86(91)92)77(125)108-60(21-10-31-99-87(93)94)81(129)111-34-12-24-66(111)83(131)113-46-55(117)40-67(113)79(127)103-44-72(120)107-63(41-56-19-13-35-135-56)78(126)110-64(47-115)82(130)112-45-53-18-6-5-16-51(53)38-69(112)84(132)114-65-23-8-7-17-52(65)39-68(114)80(128)109-61(85(133)134)22-11-32-100-88(95)96/h2-6,13-16,18-19,25-28,35,48,52,55,57-69,115-117H,7-12,17,20-24,29-34,36-47,89-90H2,1H3,(H,97,122)(H,101,124)(H,102,121)(H,103,127)(H,104,123)(H,105,118)(H,106,119)(H,107,120)(H,108,125)(H,109,128)(H,110,126)(H,133,134)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t48-,52?,55?,57+,58?,59-,60+,61+,62+,63?,64+,65?,66+,67?,68?,69-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121659
(CHEMBL3616884)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N25O19S/c1-46(100-71(117)55(86)34-48-25-27-52(112)28-26-48)70(116)98-41-68(114)101-60(35-47-14-3-2-4-15-47)73(119)97-40-56(87)72(118)103-57(20-9-29-94-83(88)89)74(120)104-58(21-10-30-95-84(90)91)78(124)107-32-12-24-64(107)80(126)109-44-53(113)38-65(109)76(122)99-42-69(115)102-61(39-54-19-13-33-130-54)75(121)106-62(45-111)79(125)108-43-51-18-6-5-16-49(51)36-67(108)81(127)110-63-23-8-7-17-50(63)37-66(110)77(123)105-59(82(128)129)22-11-31-96-85(92)93/h2-6,13-16,18-19,25-28,33,46,50,53,55-67,111-113H,7-12,17,20-24,29-32,34-45,86-87H2,1H3,(H,97,119)(H,98,116)(H,99,122)(H,100,117)(H,101,114)(H,102,115)(H,103,118)(H,104,120)(H,105,123)(H,106,121)(H,128,129)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t46-,50?,53?,55+,56?,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | 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 B2R in guinea pig ileum membranes |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121661
(CHEMBL3616882)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H120N24O19S/c1-47(99-72(117)56(86)36-49-25-27-53(111)28-26-49)71(116)97-42-69(114)101-60(37-48-14-3-2-4-15-48)73(118)93-33-29-68(113)100-57(20-9-30-94-83(87)88)74(119)103-58(21-10-31-95-84(89)90)78(123)106-34-12-24-64(106)80(125)108-45-54(112)40-65(108)76(121)98-43-70(115)102-61(41-55-19-13-35-129-55)75(120)105-62(46-110)79(124)107-44-52-18-6-5-16-50(52)38-67(107)81(126)109-63-23-8-7-17-51(63)39-66(109)77(122)104-59(82(127)128)22-11-32-96-85(91)92/h2-6,13-16,18-19,25-28,35,47,51,54,56-67,110-112H,7-12,17,20-24,29-34,36-46,86H2,1H3,(H,93,118)(H,97,116)(H,98,121)(H,99,117)(H,100,113)(H,101,114)(H,102,115)(H,103,119)(H,104,122)(H,105,120)(H,127,128)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,51?,54?,56+,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
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]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121681
(CHEMBL3616887)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C80H114N24O17S/c1-44(95-68(111)53(82)34-46-25-27-50(106)28-26-46)66(109)93-40-64(107)96-56(35-45-14-3-2-4-15-45)69(112)92-39-58(100-72(115)61-24-12-32-102(61)74(117)54(21-10-30-90-79(85)86)98-67(110)52(81)20-9-29-89-78(83)84)70(113)94-41-65(108)97-57(38-51-19-13-33-122-51)71(114)101-59(43-105)75(118)103-42-49-18-6-5-16-47(49)36-63(103)76(119)104-60-23-8-7-17-48(60)37-62(104)73(116)99-55(77(120)121)22-11-31-91-80(87)88/h2-6,13-16,18-19,25-28,33,44,48,52-63,105-106H,7-12,17,20-24,29-32,34-43,81-82H2,1H3,(H,92,112)(H,93,109)(H,94,113)(H,95,111)(H,96,107)(H,97,108)(H,98,110)(H,99,116)(H,100,115)(H,101,114)(H,120,121)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t44-,48?,52+,53+,54+,55+,56+,57?,58?,59+,60?,61+,62?,63-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
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]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121681
(CHEMBL3616887)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C80H114N24O17S/c1-44(95-68(111)53(82)34-46-25-27-50(106)28-26-46)66(109)93-40-64(107)96-56(35-45-14-3-2-4-15-45)69(112)92-39-58(100-72(115)61-24-12-32-102(61)74(117)54(21-10-30-90-79(85)86)98-67(110)52(81)20-9-29-89-78(83)84)70(113)94-41-65(108)97-57(38-51-19-13-33-122-51)71(114)101-59(43-105)75(118)103-42-49-18-6-5-16-47(49)36-63(103)76(119)104-60-23-8-7-17-48(60)37-62(104)73(116)99-55(77(120)121)22-11-31-91-80(87)88/h2-6,13-16,18-19,25-28,33,44,48,52-63,105-106H,7-12,17,20-24,29-32,34-43,81-82H2,1H3,(H,92,112)(H,93,109)(H,94,113)(H,95,111)(H,96,107)(H,97,108)(H,98,110)(H,99,116)(H,100,115)(H,101,114)(H,120,121)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t44-,48?,52+,53+,54+,55+,56+,57?,58?,59+,60?,61+,62?,63-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121683
(CHEMBL3616885)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C88H126N26O20S/c1-48(104-75(123)57(89)36-50-25-27-54(116)28-26-50)73(121)102-43-71(119)106-62(37-49-14-3-2-4-15-49)76(124)101-42-58(90)74(122)97-33-29-70(118)105-59(20-9-30-98-86(91)92)77(125)108-60(21-10-31-99-87(93)94)81(129)111-34-12-24-66(111)83(131)113-46-55(117)40-67(113)79(127)103-44-72(120)107-63(41-56-19-13-35-135-56)78(126)110-64(47-115)82(130)112-45-53-18-6-5-16-51(53)38-69(112)84(132)114-65-23-8-7-17-52(65)39-68(114)80(128)109-61(85(133)134)22-11-32-100-88(95)96/h2-6,13-16,18-19,25-28,35,48,52,55,57-69,115-117H,7-12,17,20-24,29-34,36-47,89-90H2,1H3,(H,97,122)(H,101,124)(H,102,121)(H,103,127)(H,104,123)(H,105,118)(H,106,119)(H,107,120)(H,108,125)(H,109,128)(H,110,126)(H,133,134)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t48-,52?,55?,57+,58?,59-,60+,61+,62+,63?,64+,65?,66+,67?,68?,69-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121661
(CHEMBL3616882)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H120N24O19S/c1-47(99-72(117)56(86)36-49-25-27-53(111)28-26-49)71(116)97-42-69(114)101-60(37-48-14-3-2-4-15-48)73(118)93-33-29-68(113)100-57(20-9-30-94-83(87)88)74(119)103-58(21-10-31-95-84(89)90)78(123)106-34-12-24-64(106)80(125)108-45-54(112)40-65(108)76(121)98-43-70(115)102-61(41-55-19-13-35-129-55)75(120)105-62(46-110)79(124)107-44-52-18-6-5-16-50(52)38-67(107)81(126)109-63-23-8-7-17-51(63)39-66(109)77(122)104-59(82(127)128)22-11-32-96-85(91)92/h2-6,13-16,18-19,25-28,35,47,51,54,56-67,110-112H,7-12,17,20-24,29-34,36-46,86H2,1H3,(H,93,118)(H,97,116)(H,98,121)(H,99,117)(H,100,113)(H,101,114)(H,102,115)(H,103,119)(H,104,122)(H,105,120)(H,127,128)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,51?,54?,56+,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121659
(CHEMBL3616884)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N25O19S/c1-46(100-71(117)55(86)34-48-25-27-52(112)28-26-48)70(116)98-41-68(114)101-60(35-47-14-3-2-4-15-47)73(119)97-40-56(87)72(118)103-57(20-9-29-94-83(88)89)74(120)104-58(21-10-30-95-84(90)91)78(124)107-32-12-24-64(107)80(126)109-44-53(113)38-65(109)76(122)99-42-69(115)102-61(39-54-19-13-33-130-54)75(121)106-62(45-111)79(125)108-43-51-18-6-5-16-49(51)36-67(108)81(127)110-63-23-8-7-17-50(63)37-66(110)77(123)105-59(82(128)129)22-11-31-96-85(92)93/h2-6,13-16,18-19,25-28,33,46,50,53,55-67,111-113H,7-12,17,20-24,29-32,34-45,86-87H2,1H3,(H,97,119)(H,98,116)(H,99,122)(H,100,117)(H,101,114)(H,102,115)(H,103,118)(H,104,120)(H,105,123)(H,106,121)(H,128,129)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t46-,50?,53?,55+,56?,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121663
(CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121679
(CHEMBL3616878)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]BK from human B2R expressed in HEK293 cell membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121663
(CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50121684
(CHEMBL3616944)Show SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33?,35?,37-,38+,39+,40?,41+,42?,43+,44?,45?,46-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50121663
(CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121679
(CHEMBL3616878)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(RAT) | BDBM50121679
(CHEMBL3616878)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+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]BK from B2R in rat brain membranes by liquid scintillation counting in based radioligand competition assay |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.603 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.813 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121683
(CHEMBL3616885)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C88H126N26O20S/c1-48(104-75(123)57(89)36-50-25-27-54(116)28-26-50)73(121)102-43-71(119)106-62(37-49-14-3-2-4-15-49)76(124)101-42-58(90)74(122)97-33-29-70(118)105-59(20-9-30-98-86(91)92)77(125)108-60(21-10-31-99-87(93)94)81(129)111-34-12-24-66(111)83(131)113-46-55(117)40-67(113)79(127)103-44-72(120)107-63(41-56-19-13-35-135-56)78(126)110-64(47-115)82(130)112-45-53-18-6-5-16-51(53)38-69(112)84(132)114-65-23-8-7-17-52(65)39-68(114)80(128)109-61(85(133)134)22-11-32-100-88(95)96/h2-6,13-16,18-19,25-28,35,48,52,55,57-69,115-117H,7-12,17,20-24,29-34,36-47,89-90H2,1H3,(H,97,122)(H,101,124)(H,102,121)(H,103,127)(H,104,123)(H,105,118)(H,106,119)(H,107,120)(H,108,125)(H,109,128)(H,110,126)(H,133,134)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t48-,52?,55?,57+,58?,59-,60+,61+,62+,63?,64+,65?,66+,67?,68?,69-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121659
(CHEMBL3616884)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N25O19S/c1-46(100-71(117)55(86)34-48-25-27-52(112)28-26-48)70(116)98-41-68(114)101-60(35-47-14-3-2-4-15-47)73(119)97-40-56(87)72(118)103-57(20-9-29-94-83(88)89)74(120)104-58(21-10-30-95-84(90)91)78(124)107-32-12-24-64(107)80(126)109-44-53(113)38-65(109)76(122)99-42-69(115)102-61(39-54-19-13-33-130-54)75(121)106-62(45-111)79(125)108-43-51-18-6-5-16-49(51)36-67(108)81(127)110-63-23-8-7-17-50(63)37-66(110)77(123)105-59(82(128)129)22-11-31-96-85(92)93/h2-6,13-16,18-19,25-28,33,46,50,53,55-67,111-113H,7-12,17,20-24,29-32,34-45,86-87H2,1H3,(H,97,119)(H,98,116)(H,99,122)(H,100,117)(H,101,114)(H,102,115)(H,103,118)(H,104,120)(H,105,123)(H,106,121)(H,128,129)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t46-,50?,53?,55+,56?,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Antagonist activity against B2R in Hartley guinea pig ileum assessed as reduction in electrically-induced response |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Antagonist activity against B2R in Hartley guinea pig ileum assessed as reduction in electrically-induced response |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Cavia porcellus) | BDBM50121663
(CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Antagonist activity against B2R in Hartley guinea pig ileum assessed as reduction in electrically-induced response |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121661
(CHEMBL3616882)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H120N24O19S/c1-47(99-72(117)56(86)36-49-25-27-53(111)28-26-49)71(116)97-42-69(114)101-60(37-48-14-3-2-4-15-48)73(118)93-33-29-68(113)100-57(20-9-30-94-83(87)88)74(119)103-58(21-10-31-95-84(89)90)78(123)106-34-12-24-64(106)80(125)108-45-54(112)40-65(108)76(121)98-43-70(115)102-61(41-55-19-13-35-129-55)75(120)105-62(46-110)79(124)107-44-52-18-6-5-16-50(52)38-67(107)81(126)109-63-23-8-7-17-51(63)39-66(109)77(122)104-59(82(127)128)22-11-32-96-85(91)92/h2-6,13-16,18-19,25-28,35,47,51,54,56-67,110-112H,7-12,17,20-24,29-34,36-46,86H2,1H3,(H,93,118)(H,97,116)(H,98,121)(H,99,117)(H,100,113)(H,101,114)(H,102,115)(H,103,119)(H,104,122)(H,105,120)(H,127,128)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,51?,54?,56+,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121660
(CHEMBL3616883)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C90H130N24O19S/c1-52(104-77(122)61(91)41-54-31-33-58(116)34-32-54)76(121)102-47-74(119)106-65(42-53-19-6-5-7-20-53)78(123)98-35-13-4-2-3-8-30-73(118)105-62(25-14-36-99-88(92)93)79(124)108-63(26-15-37-100-89(94)95)83(128)111-39-17-29-69(111)85(130)113-50-59(117)45-70(113)81(126)103-48-75(120)107-66(46-60-24-18-40-134-60)80(125)110-67(51-115)84(129)112-49-57-23-10-9-21-55(57)43-72(112)86(131)114-68-28-12-11-22-56(68)44-71(114)82(127)109-64(87(132)133)27-16-38-101-90(96)97/h5-7,9-10,18-21,23-24,31-34,40,52,56,59,61-72,115-117H,2-4,8,11-17,22,25-30,35-39,41-51,91H2,1H3,(H,98,123)(H,102,121)(H,103,126)(H,104,122)(H,105,118)(H,106,119)(H,107,120)(H,108,124)(H,109,127)(H,110,125)(H,132,133)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t52-,56?,59?,61+,62-,63+,64+,65+,66?,67+,68?,69+,70?,71?,72-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121681
(CHEMBL3616887)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C80H114N24O17S/c1-44(95-68(111)53(82)34-46-25-27-50(106)28-26-46)66(109)93-40-64(107)96-56(35-45-14-3-2-4-15-45)69(112)92-39-58(100-72(115)61-24-12-32-102(61)74(117)54(21-10-30-90-79(85)86)98-67(110)52(81)20-9-29-89-78(83)84)70(113)94-41-65(108)97-57(38-51-19-13-33-122-51)71(114)101-59(43-105)75(118)103-42-49-18-6-5-16-47(49)36-63(103)76(119)104-60-23-8-7-17-48(60)37-62(104)73(116)99-55(77(120)121)22-11-31-91-80(87)88/h2-6,13-16,18-19,25-28,33,44,48,52-63,105-106H,7-12,17,20-24,29-32,34-43,81-82H2,1H3,(H,92,112)(H,93,109)(H,94,113)(H,95,111)(H,96,107)(H,97,108)(H,98,110)(H,99,116)(H,100,115)(H,101,114)(H,120,121)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t44-,48?,52+,53+,54+,55+,56+,57?,58?,59+,60?,61+,62?,63-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121682
(CHEMBL3616886)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCC(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C93H136N26O20S/c1-53(109-79(127)62(94)41-55-31-33-59(121)34-32-55)78(126)107-48-76(124)110-67(42-54-19-6-5-7-20-54)81(129)102-35-13-4-2-3-8-30-75(123)106-47-63(95)80(128)112-64(25-14-36-103-91(96)97)82(130)113-65(26-15-37-104-92(98)99)86(134)116-39-17-29-71(116)88(136)118-51-60(122)45-72(118)84(132)108-49-77(125)111-68(46-61-24-18-40-140-61)83(131)115-69(52-120)87(135)117-50-58-23-10-9-21-56(58)43-74(117)89(137)119-70-28-12-11-22-57(70)44-73(119)85(133)114-66(90(138)139)27-16-38-105-93(100)101/h5-7,9-10,18-21,23-24,31-34,40,53,57,60,62-74,120-122H,2-4,8,11-17,22,25-30,35-39,41-52,94-95H2,1H3,(H,102,129)(H,106,123)(H,107,126)(H,108,132)(H,109,127)(H,110,124)(H,111,125)(H,112,128)(H,113,130)(H,114,133)(H,115,131)(H,138,139)(H4,96,97,103)(H4,98,99,104)(H4,100,101,105)/t53-,57?,60?,62+,63?,64-,65+,66+,67+,68?,69+,70?,71+,72?,73?,74-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121681
(CHEMBL3616887)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C80H114N24O17S/c1-44(95-68(111)53(82)34-46-25-27-50(106)28-26-46)66(109)93-40-64(107)96-56(35-45-14-3-2-4-15-45)69(112)92-39-58(100-72(115)61-24-12-32-102(61)74(117)54(21-10-30-90-79(85)86)98-67(110)52(81)20-9-29-89-78(83)84)70(113)94-41-65(108)97-57(38-51-19-13-33-122-51)71(114)101-59(43-105)75(118)103-42-49-18-6-5-16-47(49)36-63(103)76(119)104-60-23-8-7-17-48(60)37-62(104)73(116)99-55(77(120)121)22-11-31-91-80(87)88/h2-6,13-16,18-19,25-28,33,44,48,52-63,105-106H,7-12,17,20-24,29-32,34-43,81-82H2,1H3,(H,92,112)(H,93,109)(H,94,113)(H,95,111)(H,96,107)(H,97,108)(H,98,110)(H,99,116)(H,100,115)(H,101,114)(H,120,121)(H4,83,84,89)(H4,85,86,90)(H4,87,88,91)/t44-,48?,52+,53+,54+,55+,56+,57?,58?,59+,60?,61+,62?,63-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121680
(CHEMBL3616943)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(NC(=O)C(Cc1cccs1)NC(=O)CNC(=O)C1CC(O)CN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H116N24O17S/c1-45(97-70(113)55(84)34-47-25-27-51(107)28-26-47)68(111)95-41-66(109)98-58(35-46-14-3-2-4-15-46)71(114)94-40-60(76(119)104-43-50-18-6-5-16-48(50)36-65(104)78(121)106-61-23-8-7-17-49(61)37-64(106)74(117)101-57(79(122)123)22-11-31-93-82(89)90)102-72(115)59(39-53-19-13-33-124-53)99-67(110)42-96-73(116)63-38-52(108)44-105(63)77(120)62-24-12-32-103(62)75(118)56(21-10-30-92-81(87)88)100-69(112)54(83)20-9-29-91-80(85)86/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,107-108H,7-12,17,20-24,29-32,34-44,83-84H2,1H3,(H,94,114)(H,95,111)(H,96,116)(H,97,113)(H,98,109)(H,99,110)(H,100,112)(H,101,117)(H,102,115)(H,122,123)(H4,85,86,91)(H4,87,88,92)(H4,89,90,93)/t45-,49?,52?,54-,55+,56+,57+,58+,59?,60?,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121683
(CHEMBL3616885)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C88H126N26O20S/c1-48(104-75(123)57(89)36-50-25-27-54(116)28-26-50)73(121)102-43-71(119)106-62(37-49-14-3-2-4-15-49)76(124)101-42-58(90)74(122)97-33-29-70(118)105-59(20-9-30-98-86(91)92)77(125)108-60(21-10-31-99-87(93)94)81(129)111-34-12-24-66(111)83(131)113-46-55(117)40-67(113)79(127)103-44-72(120)107-63(41-56-19-13-35-135-56)78(126)110-64(47-115)82(130)112-45-53-18-6-5-16-51(53)38-69(112)84(132)114-65-23-8-7-17-52(65)39-68(114)80(128)109-61(85(133)134)22-11-32-100-88(95)96/h2-6,13-16,18-19,25-28,35,48,52,55,57-69,115-117H,7-12,17,20-24,29-34,36-47,89-90H2,1H3,(H,97,122)(H,101,124)(H,102,121)(H,103,127)(H,104,123)(H,105,118)(H,106,119)(H,107,120)(H,108,125)(H,109,128)(H,110,126)(H,133,134)(H4,91,92,98)(H4,93,94,99)(H4,95,96,100)/t48-,52?,55?,57+,58?,59-,60+,61+,62+,63?,64+,65?,66+,67?,68?,69-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121661
(CHEMBL3616882)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H120N24O19S/c1-47(99-72(117)56(86)36-49-25-27-53(111)28-26-49)71(116)97-42-69(114)101-60(37-48-14-3-2-4-15-48)73(118)93-33-29-68(113)100-57(20-9-30-94-83(87)88)74(119)103-58(21-10-31-95-84(89)90)78(123)106-34-12-24-64(106)80(125)108-45-54(112)40-65(108)76(121)98-43-70(115)102-61(41-55-19-13-35-129-55)75(120)105-62(46-110)79(124)107-44-52-18-6-5-16-50(52)38-67(107)81(126)109-63-23-8-7-17-51(63)39-66(109)77(122)104-59(82(127)128)22-11-32-96-85(91)92/h2-6,13-16,18-19,25-28,35,47,51,54,56-67,110-112H,7-12,17,20-24,29-34,36-46,86H2,1H3,(H,93,118)(H,97,116)(H,98,121)(H,99,117)(H,100,113)(H,101,114)(H,102,115)(H,103,119)(H,104,122)(H,105,120)(H,127,128)(H4,87,88,94)(H4,89,90,95)(H4,91,92,96)/t47-,51?,54?,56+,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121659
(CHEMBL3616884)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N25O19S/c1-46(100-71(117)55(86)34-48-25-27-52(112)28-26-48)70(116)98-41-68(114)101-60(35-47-14-3-2-4-15-47)73(119)97-40-56(87)72(118)103-57(20-9-29-94-83(88)89)74(120)104-58(21-10-30-95-84(90)91)78(124)107-32-12-24-64(107)80(126)109-44-53(113)38-65(109)76(122)99-42-69(115)102-61(39-54-19-13-33-130-54)75(121)106-62(45-111)79(125)108-43-51-18-6-5-16-49(51)36-67(108)81(127)110-63-23-8-7-17-50(63)37-66(110)77(123)105-59(82(128)129)22-11-31-96-85(92)93/h2-6,13-16,18-19,25-28,33,46,50,53,55-67,111-113H,7-12,17,20-24,29-32,34-45,86-87H2,1H3,(H,97,119)(H,98,116)(H,99,122)(H,100,117)(H,101,114)(H,102,115)(H,103,118)(H,104,120)(H,105,123)(H,106,121)(H,128,129)(H4,88,89,94)(H4,90,91,95)(H4,92,93,96)/t46-,50?,53?,55+,56?,57-,58+,59+,60+,61?,62+,63?,64+,65?,66?,67-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 155 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121663
(CHEMBL3616880)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C91H123N23O18S/c92-61(41-54-31-33-58(116)34-32-54)83(126)110-38-14-29-70(110)81(124)108-66(43-53-19-5-2-6-20-53)78(121)107-65(42-52-17-3-1-4-18-52)77(120)104-62(25-11-35-99-89(93)94)76(119)105-63(26-12-36-100-90(95)96)84(127)111-39-15-30-71(111)86(129)113-50-59(117)46-72(113)80(123)102-48-75(118)103-67(47-60-24-16-40-133-60)79(122)109-68(51-115)85(128)112-49-57-23-8-7-21-55(57)44-74(112)87(130)114-69-28-10-9-22-56(69)45-73(114)82(125)106-64(88(131)132)27-13-37-101-91(97)98/h1-8,16-21,23-24,31-34,40,56,59,61-74,115-117H,9-15,22,25-30,35-39,41-51,92H2,(H,102,123)(H,103,118)(H,104,120)(H,105,119)(H,106,125)(H,107,121)(H,108,124)(H,109,122)(H,131,132)(H4,93,94,99)(H4,95,96,100)(H4,97,98,101)/t56?,59?,61-,62+,63-,64-,65-,66-,67?,68-,69?,70-,71-,72?,73?,74+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121662
(CHEMBL3616881)Show SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H115N23O18S/c1-45(95-69(112)54(83)34-47-25-27-51(107)28-26-47)68(111)93-40-66(109)96-58(35-46-14-3-2-4-15-46)71(114)98-55(20-9-29-90-80(84)85)70(113)99-56(21-10-30-91-81(86)87)75(118)102-32-12-24-62(102)77(120)104-43-52(108)38-63(104)73(116)94-41-67(110)97-59(39-53-19-13-33-124-53)72(115)101-60(44-106)76(119)103-42-50-18-6-5-16-48(50)36-65(103)78(121)105-61-23-8-7-17-49(61)37-64(105)74(117)100-57(79(122)123)22-11-31-92-82(88)89/h2-6,13-16,18-19,25-28,33,45,49,52,54-65,106-108H,7-12,17,20-24,29-32,34-44,83H2,1H3,(H,93,111)(H,94,116)(H,95,112)(H,96,109)(H,97,110)(H,98,114)(H,99,113)(H,100,117)(H,101,115)(H,122,123)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t45-,49?,52?,54+,55-,56+,57+,58+,59?,60+,61?,62+,63?,64?,65-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Rattus norvegicus (rat)) | BDBM50121679
(CHEMBL3616878)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C82H114N22O17S/c83-54(36-47-26-28-51(106)29-27-47)74(115)100-33-11-24-62(100)72(113)98-58(37-46-14-2-1-3-15-46)69(110)95-55(20-8-30-90-80(84)85)68(109)96-56(21-9-31-91-81(86)87)75(116)101-34-12-25-63(101)77(118)103-44-52(107)40-64(103)71(112)93-42-67(108)94-59(41-53-19-13-35-122-53)70(111)99-60(45-105)76(117)102-43-50-18-5-4-16-48(50)38-66(102)78(119)104-61-23-7-6-17-49(61)39-65(104)73(114)97-57(79(120)121)22-10-32-92-82(88)89/h1-5,13-16,18-19,26-29,35,49,52,54-66,105-107H,6-12,17,20-25,30-34,36-45,83H2,(H,93,112)(H,94,108)(H,95,110)(H,96,109)(H,97,114)(H,98,113)(H,99,111)(H,120,121)(H4,84,85,90)(H4,86,87,91)(H4,88,89,92)/t49?,52?,54-,55+,56-,57-,58-,59?,60-,61?,62-,63-,64?,65?,66+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.13E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DAMGO from rat mu opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50121678
(CHEMBL3616879)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)CC1C(=O)NCC(=O)NC(Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1C2CCCCC2CC1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C85H121N23O18S2/c1-47(97-71(114)56(86)37-49-26-28-53(110)29-27-49)70(113)103-61(38-48-15-4-3-5-16-48)74(117)100-58(30-36-127-2)73(116)99-57(21-10-31-93-83(87)88)72(115)101-59(22-11-32-94-84(89)90)78(121)105-34-13-25-65(105)80(123)107-45-54(111)41-66(107)76(119)96-43-69(112)98-62(42-55-20-14-35-128-55)75(118)104-63(46-109)79(122)106-44-52-19-7-6-17-50(52)39-68(106)81(124)108-64-24-9-8-18-51(64)40-67(108)77(120)102-60(82(125)126)23-12-33-95-85(91)92/h3-7,14-17,19-20,26-29,35,47,51,54,56-68,109-111H,8-13,18,21-25,30-34,36-46,86H2,1-2H3,(H,96,119)(H,97,114)(H,98,112)(H,99,116)(H,100,117)(H,101,115)(H,102,120)(H,103,113)(H,104,118)(H,125,126)(H4,87,88,93)(H4,89,90,94)(H4,91,92,95)/t47-,51?,54?,56-,57+,58-,59-,60-,61-,62?,63-,64?,65-,66?,67?,68+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Arizona
Curated by ChEMBL
| Assay Description
Displacement of [3H]DPDPE from human delta opiod receptor |
Bioorg Med Chem Lett 25: 4148-52 (2015)
Article DOI: 10.1016/j.bmcl.2015.08.014
BindingDB Entry DOI: 10.7270/Q22809CN |
More data for this
Ligand-Target Pair | |
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