Found 12 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037185 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)) | BDBM21864
((21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazahep...)Show SMILES [H][C@@]12Cc3ccc(O)c4OC5c6[nH]c7ccccc7c6CC1(O)C5(CCN2CC1CC1)c34 |THB:27:26:21:31.2.3| Show InChI InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027063
(CHEMBL2111838)Show SMILES CN1[C@@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027064
(CHEMBL2111836)Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50131968
(CHEMBL127828 | Thiophene-3-carboxylic acid {2-[5-(...)Show SMILES CN1C(CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50049806
(CHEMBL127969 | Thiophene-2-carboxylic acid [2-(1-m...)Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50000092
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1| Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 299 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027054
(CHEMBL2448130)Show SMILES CN1[C@H](CCNC(=O)c2ccsc2)CN=C(c2ccccc2F)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H22FN3OS/c1-27-17(10-12-25-23(28)16-11-13-29-15-16)14-26-22(18-6-2-4-8-20(18)24)19-7-3-5-9-21(19)27/h2-9,11,13,15,17H,10,12,14H2,1H3,(H,25,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 438 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027062
(CHEMBL2111837)Show SMILES CN1[C@@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 451 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50049803
(CHEMBL124015 | Thiophene-2-carboxylic acid [2-(7-c...)Show SMILES CN1C(CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 494 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027055
(CHEMBL2448128)Show SMILES CN1[C@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2ccccc12 |r,t:15| Show InChI InChI=1S/C23H23N3OS/c1-26-18(13-14-24-23(27)21-12-7-15-28-21)16-25-22(17-8-3-2-4-9-17)19-10-5-6-11-20(19)26/h2-12,15,18H,13-14,16H2,1H3,(H,24,27)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50027057
(CHEMBL2448129)Show SMILES CN1[C@H](CCNC(=O)c2cccs2)CN=C(c2ccccc2)c2cc(Cl)ccc12 |r,t:15| Show InChI InChI=1S/C23H22ClN3OS/c1-27-18(11-12-25-23(28)21-8-5-13-29-21)15-26-22(16-6-3-2-4-7-16)19-14-17(24)9-10-20(19)27/h2-10,13-14,18H,11-12,15H2,1H3,(H,25,28)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 750 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50381677
(CHEMBL1256748 | U-69593)Show SMILES CN([C@H]1C[C@@]2(CCCO2)CC[C@@H]1N1CCCC1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)20-17-22(11-7-15-26-22)12-10-19(20)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena
Curated by ChEMBL
| Assay Description
Binding affinity determined against Opioid receptor delta 1 from human cloned receptor |
J Med Chem 46: 3853-64 (2003)
Article DOI: 10.1021/jm0307640
BindingDB Entry DOI: 10.7270/Q27M08QQ |
More data for this
Ligand-Target Pair | |
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