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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50009148   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Opioid receptors; mu & delta


(Rattus norvegicus (rat))
BDBM50009148
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C43H58N10O12S/c1-23(2)15-31(40(62)53-34(20-36(57)58)43(65)49-30(37(45)59)19-35(55)56)50-42(64)33(18-26-21-46-22-47-26)52-41(63)32(17-24-7-5-4-6-8-24)51-39(61)29(13-14-66-3)48-38(60)28(44)16-25-9-11-27(54)12-10-25/h4-12,21-23,28-34,54H,13-20,44H2,1-3H3,(H2,45,59)(H,46,47)(H,48,60)(H,49,65)(H,50,64)(H,51,61)(H,52,63)(H,53,62)(H,55,56)(H,57,58)/t28-,29+,30-,31-,32-,33-,34-/m0/s1
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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.10n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor delta 1 in P2 membrane preparation of rat brain by [3H]DADLE displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair
Nociceptin/mu opioid receptor


(Rattus norvegicus (rat))
BDBM50009148
PNG
(3-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propio...)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(N)=O
Show InChI InChI=1S/C43H58N10O12S/c1-23(2)15-31(40(62)53-34(20-36(57)58)43(65)49-30(37(45)59)19-35(55)56)50-42(64)33(18-26-21-46-22-47-26)52-41(63)32(17-24-7-5-4-6-8-24)51-39(61)29(13-14-66-3)48-38(60)28(44)16-25-9-11-27(54)12-10-25/h4-12,21-23,28-34,54H,13-20,44H2,1-3H3,(H2,45,59)(H,46,47)(H,48,60)(H,49,65)(H,50,64)(H,51,61)(H,52,63)(H,53,62)(H,55,56)(H,57,58)/t28-,29+,30-,31-,32-,33-,34-/m0/s1
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.41E+3n/an/an/an/an/an/an/an/a



National Institute of Environmental Health Sciences

Curated by ChEMBL


Assay Description
Binding affinity against Opioid receptor mu 1 in P2 membrane preparation of rat brain by [3H]DAGO displacement.


J Med Chem 34: 1350-5 (1991)


Article DOI: 10.1021/jm00108a017
BindingDB Entry DOI: 10.7270/Q2ZW1MHT
More data for this
Ligand-Target Pair