Found 5 hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50047525 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
(MOUSE) | BDBM50070386
(CHEMBL3408737)Show SMILES [H][C@@]1(Cc2ccccc2CN(CCC(N)=O)C1=O)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C |r| Show InChI InChI=1S/C30H42N8O5/c1-17-12-21(39)13-18(2)22(17)15-23(31)27(41)36-24(8-5-10-35-30(33)34)28(42)37-25-14-19-6-3-4-7-20(19)16-38(29(25)43)11-9-26(32)40/h3-4,6-7,12-13,23-25,39H,5,8-11,14-16,31H2,1-2H3,(H2,32,40)(H,36,41)(H,37,42)(H4,33,34,35)/t23-,24+,25-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50173128
(CHEMBL3808398)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H105FN24O12/c1-42-33-51(104)34-43(2)53(42)39-54(79)66(107)96-58(17-9-30-91-76(85)86)69(110)101-63-37-46-11-3-4-12-47(46)41-102(73(63)114)32-27-64(105)94-57(16-8-29-90-75(83)84)67(108)98-61(36-45-21-25-50(103)26-22-45)71(112)99-60(35-44-19-23-49(78)24-20-44)70(111)97-59(18-10-31-92-77(87)88)68(109)100-62(38-48-40-93-55-14-6-5-13-52(48)55)72(113)95-56(65(80)106)15-7-28-89-74(81)82/h3-6,11-14,19-26,33-34,40,54,56-63,93,103-104H,7-10,15-18,27-32,35-39,41,79H2,1-2H3,(H2,80,106)(H,94,105)(H,95,113)(H,96,107)(H,97,111)(H,98,108)(H,99,112)(H,100,109)(H,101,110)(H4,81,82,89)(H4,83,84,90)(H4,85,86,91)(H4,87,88,92)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50173130
(CHEMBL3808523)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C77H106N24O13/c1-42-33-51(104)34-43(2)53(42)39-54(78)66(107)95-58(17-9-30-90-76(84)85)69(110)100-63-37-46-11-3-4-12-47(46)41-101(73(63)114)32-27-64(105)93-57(16-8-29-89-75(82)83)67(108)97-61(36-45-21-25-50(103)26-22-45)71(112)98-60(35-44-19-23-49(102)24-20-44)70(111)96-59(18-10-31-91-77(86)87)68(109)99-62(38-48-40-92-55-14-6-5-13-52(48)55)72(113)94-56(65(79)106)15-7-28-88-74(80)81/h3-6,11-14,19-26,33-34,40,54,56-63,92,102-104H,7-10,15-18,27-32,35-39,41,78H2,1-2H3,(H2,79,106)(H,93,105)(H,94,113)(H,95,107)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H,100,110)(H4,80,81,88)(H4,82,83,89)(H4,84,85,90)(H4,86,87,91)/t54-,56-,57-,58+,59-,60-,61-,62-,63-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
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 |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50173127
(CHEMBL3808415)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCN1Cc2ccccc2C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1=O)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C72H107N21O13/c1-5-40(2)60(68(105)86-52(61(75)98)15-8-9-28-73)92-65(102)55(18-12-31-84-72(80)81)88-66(103)56(35-43-19-23-47(94)24-20-43)90-67(104)57(36-44-21-25-48(95)26-22-44)89-63(100)53(16-10-29-82-70(76)77)85-59(97)27-32-93-39-46-14-7-6-13-45(46)37-58(69(93)106)91-64(101)54(17-11-30-83-71(78)79)87-62(99)51(74)38-50-41(3)33-49(96)34-42(50)4/h6-7,13-14,19-26,33-34,40,51-58,60,94-96H,5,8-12,15-18,27-32,35-39,73-74H2,1-4H3,(H2,75,98)(H,85,97)(H,86,105)(H,87,99)(H,88,103)(H,89,100)(H,90,104)(H,91,101)(H,92,102)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t40-,51-,52-,53-,54+,55-,56-,57-,58-,60-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(MOUSE) | BDBM50173129
(CHEMBL3810104)Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@H]1Cc2ccccc2CN(CCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O)C1=O |r| Show InChI InChI=1S/C79H110N24O13/c1-42-31-51(105)32-43(2)54(42)38-56(80)68(109)97-60(19-11-28-92-78(86)87)71(112)102-65-36-47-13-5-6-14-48(47)41-103(75(65)116)30-25-66(107)95-59(18-10-27-91-77(84)85)69(110)99-62(35-46-21-23-50(104)24-22-46)72(113)101-64(39-55-44(3)33-52(106)34-45(55)4)74(115)98-61(20-12-29-93-79(88)89)70(111)100-63(37-49-40-94-57-16-8-7-15-53(49)57)73(114)96-58(67(81)108)17-9-26-90-76(82)83/h5-8,13-16,21-24,31-34,40,56,58-65,94,104-106H,9-12,17-20,25-30,35-39,41,80H2,1-4H3,(H2,81,108)(H,95,107)(H,96,114)(H,97,109)(H,98,115)(H,99,110)(H,100,111)(H,101,113)(H,102,112)(H4,82,83,90)(H4,84,85,91)(H4,86,87,92)(H4,88,89,93)/t56-,58-,59-,60+,61-,62-,63-,64-,65-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Vrije Universiteit Brussel
Curated by ChEMBL
| Assay Description
Agonist activity at delta opioid receptor in Swiss Webster albino mouse vas deferans assessed as inhibition of electrically-induced longitudinal musc... |
J Med Chem 59: 3777-92 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01976
BindingDB Entry DOI: 10.7270/Q2T72KC6 |
More data for this
Ligand-Target Pair | |
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