Found 3 hits for monomerid = 50122549 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)) | BDBM50122549
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/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 | 49 | 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)) | BDBM50122549
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/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 | 7 | 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)) | BDBM50122549
(4N,13N-dibenzyl-17-cyclopropylmethyl-16-methyl-17-...)Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1CC1CC1)=NCc1ccccc1 |w:30.36,wU:2.2,9.28,8.7,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:12:11:25.1:3.8,26:25:3.8:24.11.10,7:8:25.1:24.11.10,(11.14,-1.71,;10.05,-2.81,;6.2,-1.55,;6.2,,;6.2,1.56,;7.54,2.33,;8.88,1.56,;8.88,,;7.54,-.77,;7.76,-4.64,;6.2,-4.64,;4.87,-3.87,;3.54,-4.64,;2.21,-3.87,;2.21,-2.32,;.85,-1.53,;-.49,-2.29,;-.49,-3.83,;-1.84,-4.59,;-1.84,-6.13,;-.51,-6.9,;.83,-6.13,;.83,-4.59,;3.54,-1.55,;4.87,-2.32,;9.2,-4.09,;10.15,-5.29,;9.59,-6.73,;8.4,-7.69,;9.84,-8.25,;7.54,3.87,;6.2,4.64,;4.87,3.87,;3.55,4.64,;2.23,3.9,;2.23,2.35,;3.56,1.59,;4.87,2.36,)| Show InChI InChI=1S/C35H39N3/c1-24-35-32-19-29(36-21-25-8-4-2-5-9-25)15-14-28(32)18-34(38(24)23-27-12-13-27)31-17-16-30(20-33(31)35)37-22-26-10-6-3-7-11-26/h2-11,14-15,19-20,24,27,31,34-36H,12-13,16-18,21-23H2,1H3/t24-,31-,34+,35+/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 | 31 | 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 | |