Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50130605' 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)) | BDBM50130605
(13,22-dimethyl-2-(3-methyl-2-butenyl)-14-oxa-11,22...)Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)| Show InChI InChI=1S/C29H32N2O2/c1-17(2)11-12-28-16-20-19-7-5-6-8-21(19)30-26(20)27(3)29(28)13-14-31(4)23(28)15-18-9-10-22(32)25(33-27)24(18)29/h5-11,23,30,32H,12-16H2,1-4H3/t23?,27-,28-,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Binding affinity for human Opioid receptor delta 1 transfected into chinese hamster ovary cells by displacing [3H]CI-DPDPE radioligand |
J Med Chem 46: 3174-7 (2003)
Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD |
More data for this Ligand-Target Pair | |
Delta-type opioid receptor
(Homo sapiens (Human)) | BDBM50130605
(13,22-dimethyl-2-(3-methyl-2-butenyl)-14-oxa-11,22...)Show SMILES CN1CC[C@]23c4c5O[C@@]2(C)c2[nH]c6ccccc6c2C[C@@]3(CC=C(C)C)C1Cc4ccc5O |wU:20.24,8.9,wD:4.4,TLB:29:28:20:1.3.2,6:5:20:1.3.2,(9.18,1.42,;7.96,.48,;6.47,.09,;6.12,-2.18,;6.89,-3.51,;5.37,-3.34,;4.44,-4.57,;5.89,-5.72,;7.52,-4.93,;7.51,-6.47,;9.05,-5.09,;9.95,-6.35,;11.42,-5.86,;12.75,-6.65,;14.09,-5.88,;14.09,-4.32,;12.76,-3.55,;11.43,-4.32,;9.96,-3.85,;9.34,-2.43,;7.82,-2.27,;8.9,-1.17,;10.39,-1.55,;11.46,-.45,;12.96,-.85,;11.06,1.03,;7.21,-.86,;5.68,-.68,;4.76,-1.92,;3.23,-1.75,;2.31,-2.99,;2.92,-4.39,;2.01,-5.63,)| Show InChI InChI=1S/C29H32N2O2/c1-17(2)11-12-28-16-20-19-7-5-6-8-21(19)30-26(20)27(3)29(28)13-14-31(4)23(28)15-18-9-10-22(32)25(33-27)24(18)29/h5-11,23,30,32H,12-16H2,1-4H3/t23?,27-,28-,29-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 90 | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Agonistic activity towards Opioid receptor delta 1 |
J Med Chem 46: 3174-7 (2003)
Article DOI: 10.1021/jm030801n BindingDB Entry DOI: 10.7270/Q2TH8NGD |
More data for this Ligand-Target Pair | |