Found 12 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 |
|---|
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50166066
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125255
((R)-2-[((S)-1-{(R)-6-Amino-2-[(S)-2-({(S)-1-[(S)-2...)Show SMILES NCCCC[C@H](C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C32H46N6O11/c33-12-2-1-5-20(30(46)37-13-3-6-24(37)28(44)35-22(32(48)49)16-26(41)42)27(43)23(17-39)36-29(45)25-7-4-14-38(25)31(47)21(34)15-18-8-10-19(40)11-9-18/h8-11,20-25,39-40H,1-7,12-17,33-34H2,(H,35,44)(H,36,45)(H,41,42)(H,48,49)/t20-,21+,22-,23+,24+,25+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125259
(CHEMBL410260 | Neuropeptide Y[24-36])Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C79H128N26O19/c1-10-41(7)61(103-72(119)55(33-44-18-22-47(107)23-19-44)99-69(116)56(35-46-37-89-38-93-46)100-66(113)50(15-12-28-90-77(83)84)94-64(111)49(80)31-39(3)4)73(120)101-57(36-60(82)110)70(117)98-54(32-40(5)6)71(118)104-62(42(8)11-2)74(121)105-63(43(9)106)75(122)97-52(17-14-30-92-79(87)88)65(112)96-53(26-27-59(81)109)68(115)95-51(16-13-29-91-78(85)86)67(114)102-58(76(123)124)34-45-20-24-48(108)25-21-45/h18-25,37-43,49-58,61-63,106-108H,10-17,26-36,80H2,1-9H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,116)(H,100,113)(H,101,120)(H,102,114)(H,103,119)(H,104,118)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t41-,42-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001465
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125256
(CHEMBL428276 | Neuropeptide Y[22-36])Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C85H138N28O22/c1-11-43(7)65(111-78(130)59(34-47-19-23-50(116)24-20-47)107-75(127)60(36-49-38-95-40-99-49)108-71(123)53(16-13-29-96-83(89)90)102-74(126)57(32-41(3)4)105-68(120)45(9)100-69(121)52(86)39-114)79(131)109-61(37-64(88)119)76(128)106-58(33-42(5)6)77(129)112-66(44(8)12-2)80(132)113-67(46(10)115)81(133)104-55(18-15-31-98-85(93)94)70(122)103-56(27-28-63(87)118)73(125)101-54(17-14-30-97-84(91)92)72(124)110-62(82(134)135)35-48-21-25-51(117)26-22-48/h19-26,38,40-46,52-62,65-67,114-117H,11-18,27-37,39,86H2,1-10H3,(H2,87,118)(H2,88,119)(H,95,99)(H,100,121)(H,101,125)(H,102,126)(H,103,122)(H,104,133)(H,105,120)(H,106,128)(H,107,127)(H,108,123)(H,109,131)(H,110,124)(H,111,130)(H,112,129)(H,113,132)(H,134,135)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125258
((S)-1-[(S)-6-Amino-2-((S)-2-{[(S)-1-((S)-2-amino-3...)Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C28H42N6O7/c29-13-5-4-10-20(27(39)34-15-7-12-23(34)28(40)41)31-24(36)21(17-35)32-25(37)22-11-6-14-33(22)26(38)19(30)16-18-8-2-1-3-9-18/h1-3,8-9,19-23,35H,4-7,10-17,29-30H2,(H,31,36)(H,32,37)(H,40,41)/t19-,20-,21-,22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50166066
(CHEMBL362991 | H-Tyr-Pro-Phe-Pro-NH2 | MORPHICEPTI...)Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C28H35N5O5/c29-21(16-19-10-12-20(34)13-11-19)27(37)33-15-5-9-24(33)26(36)31-22(17-18-6-2-1-3-7-18)28(38)32-14-4-8-23(32)25(30)35/h1-3,6-7,10-13,21-24,34H,4-5,8-9,14-17,29H2,(H2,30,35)(H,31,36)/t21-,22-,23-,24-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Inhibitory activity against non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125255
((R)-2-[((S)-1-{(R)-6-Amino-2-[(S)-2-({(S)-1-[(S)-2...)Show SMILES NCCCC[C@H](C(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C32H46N6O11/c33-12-2-1-5-20(30(46)37-13-3-6-24(37)28(44)35-22(32(48)49)16-26(41)42)27(43)23(17-39)36-29(45)25-7-4-14-38(25)31(47)21(34)15-18-8-10-19(40)11-9-18/h8-11,20-25,39-40H,1-7,12-17,33-34H2,(H,35,44)(H,36,45)(H,41,42)(H,48,49)/t20-,21+,22-,23+,24+,25+/m1/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Inhibitory activity against non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125259
(CHEMBL410260 | Neuropeptide Y[24-36])Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C79H128N26O19/c1-10-41(7)61(103-72(119)55(33-44-18-22-47(107)23-19-44)99-69(116)56(35-46-37-89-38-93-46)100-66(113)50(15-12-28-90-77(83)84)94-64(111)49(80)31-39(3)4)73(120)101-57(36-60(82)110)70(117)98-54(32-40(5)6)71(118)104-62(42(8)11-2)74(121)105-63(43(9)106)75(122)97-52(17-14-30-92-79(87)88)65(112)96-53(26-27-59(81)109)68(115)95-51(16-13-29-91-78(85)86)67(114)102-58(76(123)124)34-45-20-24-48(108)25-21-45/h18-25,37-43,49-58,61-63,106-108H,10-17,26-36,80H2,1-9H3,(H2,81,109)(H2,82,110)(H,89,93)(H,94,111)(H,95,115)(H,96,112)(H,97,122)(H,98,117)(H,99,116)(H,100,113)(H,101,120)(H,102,114)(H,103,119)(H,104,118)(H,105,121)(H,123,124)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t41-,42-,43+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-,63-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Inhibitory activity against non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50001465
((S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-pheny...)Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Binding affinity towards non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125256
(CHEMBL428276 | Neuropeptide Y[22-36])Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C85H138N28O22/c1-11-43(7)65(111-78(130)59(34-47-19-23-50(116)24-20-47)107-75(127)60(36-49-38-95-40-99-49)108-71(123)53(16-13-29-96-83(89)90)102-74(126)57(32-41(3)4)105-68(120)45(9)100-69(121)52(86)39-114)79(131)109-61(37-64(88)119)76(128)106-58(33-42(5)6)77(129)112-66(44(8)12-2)80(132)113-67(46(10)115)81(133)104-55(18-15-31-98-85(93)94)70(122)103-56(27-28-63(87)118)73(125)101-54(17-14-30-97-84(91)92)72(124)110-62(82(134)135)35-48-21-25-51(117)26-22-48/h19-26,38,40-46,52-62,65-67,114-117H,11-18,27-37,39,86H2,1-10H3,(H2,87,118)(H2,88,119)(H,95,99)(H,100,121)(H,101,125)(H,102,126)(H,103,122)(H,104,133)(H,105,120)(H,106,128)(H,107,127)(H,108,123)(H,109,131)(H,110,124)(H,111,130)(H,112,129)(H,113,132)(H,134,135)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98)/t43-,44-,45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,65-,66-,67-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Inhibitory activity against non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50125258
((S)-1-[(S)-6-Amino-2-((S)-2-{[(S)-1-((S)-2-amino-3...)Show SMILES NCCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C28H42N6O7/c29-13-5-4-10-20(27(39)34-15-7-12-23(34)28(40)41)31-24(36)21(17-35)32-25(37)22-11-6-14-33(22)26(38)19(30)16-18-8-2-1-3-9-18/h1-3,8-9,19-23,35H,4-7,10-17,29-30H2,(H,31,36)(H,32,37)(H,40,41)/t19-,20-,21-,22-,23-/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Wilmington
Curated by ChEMBL
| Assay Description
Inhibitory activity against non-selective opiate receptor |
Bioorg Med Chem Lett 13: 1029-31 (2003)
BindingDB Entry DOI: 10.7270/Q2FB53GH |
More data for this
Ligand-Target Pair | |
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