Found 3 hits for monomerid = 50122540 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50122540
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)| Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description In vitro binding affinity against cloned human Opioid receptor delta 1 expressed in HEK 293S cells |
J Med Chem 46: 34-48 (2002)
Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50122540
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)| Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description Tested for effective concentration against cloned human Opioid receptor mu 1 |
J Med Chem 46: 34-48 (2002)
Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50122540
(16,17-dimethyl-4,13-di(4-methylhexahydro-1-pyrazin...)Show SMILES C[C@@H]1[C@@H]2C3=CC(=CC[C@H]3[C@H](Cc3ccc(cc23)N2CCN(C)CC2)N1C)N1CCN(C)CC1 |wU:2.2,9.27,8.8,1.0,c:5,t:3,TLB:15:16:24.1:3.8,0:1:3.8:16.11.10,THB:7:8:24.1:16.11.10,12:11:24.1:3.8,25:24:3.8:16.11.10,(13.17,-7.29,;12.07,-8.38,;8.24,-7.12,;8.24,-5.56,;8.24,-4.02,;9.57,-3.25,;10.9,-4.02,;10.9,-5.56,;9.57,-6.33,;9.78,-10.2,;8.24,-10.2,;6.91,-9.43,;5.58,-10.2,;4.25,-9.43,;4.25,-7.89,;5.58,-7.12,;6.91,-7.89,;2.9,-7.1,;2.9,-5.54,;1.57,-4.76,;.21,-5.51,;-1.11,-4.74,;.19,-7.08,;1.55,-7.87,;11.23,-9.64,;12.19,-10.86,;9.57,-1.71,;10.9,-.94,;10.9,.58,;9.57,1.37,;9.59,2.91,;8.24,.6,;8.24,-.94,)| Show InChI InChI=1S/C28H41N5/c1-20-28-25-18-22(32-13-9-29(2)10-14-32)6-5-21(25)17-27(31(20)4)24-8-7-23(19-26(24)28)33-15-11-30(3)12-16-33/h5-7,18-20,24,27-28H,8-17H2,1-4H3/t20-,24-,27+,28+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description In vitro binding affinity against cloned human Opioid receptor kappa 1 expressed in HEK 293S cells |
J Med Chem 46: 34-48 (2002)
Article DOI: 10.1021/jm020164l BindingDB Entry DOI: 10.7270/Q2TM7BTT |
More data for this Ligand-Target Pair | |