Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50122523' 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 |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50122523
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)| Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/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 | 8 | 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 | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50122523
(4N,13N-dibenzyl-16,17-dimethyl-17-azatetracyclo[7....)Show SMILES C[C@@H]1[C@@H]2C3=CC(CC[C@H]3[C@H](Cc3ccc(NCc4ccccc4)cc23)N1C)=NCc1ccccc1 |w:27.32,wU:2.2,9.28,8.8,1.0,t:3,TLB:0:1:3.8:24.11.10,23:24:25.1:3.8,THB:26:25:3.8:24.11.10,7:8:25.1:24.11.10,12:11:25.1:3.8,(11.14,-2.39,;10.05,-3.49,;6.2,-2.23,;6.2,-.68,;6.2,.88,;7.54,1.65,;8.88,.88,;8.88,-.68,;7.54,-1.45,;7.76,-5.32,;6.2,-5.32,;4.87,-4.54,;3.54,-5.32,;2.21,-4.54,;2.21,-3,;.85,-2.21,;-.49,-2.97,;-.49,-4.51,;-1.84,-5.27,;-1.84,-6.8,;-.51,-7.58,;.83,-6.8,;.83,-5.27,;3.54,-2.23,;4.87,-3,;9.2,-4.77,;10.16,-5.97,;7.54,3.2,;6.2,3.97,;4.87,3.2,;4.87,1.68,;3.56,.91,;2.23,1.68,;2.23,3.2,;3.55,3.97,)| Show InChI InChI=1S/C32H35N3/c1-22-32-29-18-26(33-20-23-9-5-3-6-10-23)14-13-25(29)17-31(35(22)2)28-16-15-27(19-30(28)32)34-21-24-11-7-4-8-12-24/h3-14,18-19,22,28,31-33H,15-17,20-21H2,1-2H3/t22-,28-,31+,32+/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 | n/a | n/a | 4.30E+3 | 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 | |