Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type/Kappa-type/Mu-type opioid receptor' and Ligand = 'BDBM50474625' 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/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474625
(CHEMBL611140)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6| Show InChI InChI=1S/C64H71N11O10/c65-60(70-36-11-12-41-38(25-36)40-27-64(83)46-24-34-9-13-43(76)56-51(34)61(64,58(84-56)54(40)72-41)17-21-75(46)31-33-7-8-33)67-20-2-19-66-49(80)28-68-47(78)15-16-48(79)69-29-50(81)71-42-4-1-3-37-39-26-63(82)45-23-35-10-14-44(77)57-52(35)62(63,18-22-74(45)30-32-5-6-32)59(85-57)55(39)73-53(37)42/h1,3-4,9-14,25,32-33,45-46,58-59,72-73,76-77,82-83H,2,5-8,15-24,26-31H2,(H,66,80)(H,68,78)(H,69,79)(H,71,81)(H3,65,67,70)/t45-,46-,58+,59+,61+,62+,63-,64-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand singly expressed with delta or kappa receptors. |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
Delta-type/Kappa-type/Mu-type opioid receptor
(MOUSE-Mus musculus (Mouse)) | BDBM50474625
(CHEMBL611140)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(N\C(N)=N\CCCNC(=O)CNC(=O)CCC(=O)NCC(=O)Nc4cccc5c6C[C@@]7(O)[C@@]8([H])Cc9ccc(O)c%10O[C@@]([H])(c6[nH]c45)[C@]7(CCN8CC4CC4)c9%10)cc12)ccc3O |r,TLB:78:77:57:82.62.61,THB:10:9:17:4.5.6| Show InChI InChI=1S/C64H71N11O10/c65-60(70-36-11-12-41-38(25-36)40-27-64(83)46-24-34-9-13-43(76)56-51(34)61(64,58(84-56)54(40)72-41)17-21-75(46)31-33-7-8-33)67-20-2-19-66-49(80)28-68-47(78)15-16-48(79)69-29-50(81)71-42-4-1-3-37-39-26-63(82)45-23-35-10-14-44(77)57-52(35)62(63,18-22-74(45)30-32-5-6-32)59(85-57)55(39)73-53(37)42/h1,3-4,9-14,25,32-33,45-46,58-59,72-73,76-77,82-83H,2,5-8,15-24,26-31H2,(H,66,80)(H,68,78)(H,69,79)(H,71,81)(H3,65,67,70)/t45-,46-,58+,59+,61+,62+,63-,64-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 315 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity on intact HEK cells using [3H]diprenorphine as radioligand co-expressed with delta and kappa opioid receptor... |
J Med Chem 47: 2969-72 (2004)
Article DOI: 10.1021/jm0342358
BindingDB Entry DOI: 10.7270/Q2N58Q39 |
More data for this
Ligand-Target Pair | |
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