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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Opioid receptors; mu & delta' and Ligand = 'BDBM50002179'   
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))
BDBM50002179
PNG
(CHEMBL263597 | Tyr-Gly-Gly-Phe-Leu-Arg-Arg-Ile-Arg...)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O
Show InChI InChI=1S/C77H129N25O15/c1-8-46(6)63(73(116)98-56(26-18-36-90-77(85)86)74(117)102-37-19-27-60(102)72(115)97-53(23-12-14-32-78)67(110)99-57(38-44(2)3)69(112)94-52(64(80)107)22-13-15-33-87-47(7)103)101-68(111)55(25-17-35-89-76(83)84)95-66(109)54(24-16-34-88-75(81)82)96-70(113)58(39-45(4)5)100-71(114)59(41-48-20-10-9-11-21-48)93-62(106)43-91-61(105)42-92-65(108)51(79)40-49-28-30-50(104)31-29-49/h9-11,20-21,28-31,44-46,51-60,63,104H,8,12-19,22-27,32-43,78-79H2,1-7H3,(H2,80,107)(H,87,103)(H,91,105)(H,92,108)(H,93,106)(H,94,112)(H,95,109)(H,96,113)(H,97,115)(H,98,116)(H,99,110)(H,100,114)(H,101,111)(H4,81,82,88)(H4,83,84,89)(H4,85,86,90)/t46-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,63-/m0/s1
PDB

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KEGG

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
4.60n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DPDPE to opioid receptor delta of rat fore brain membranes was determined


J Med Chem 35: 4330-3 (1992)


BindingDB Entry DOI: 10.7270/Q2FB51W2
More data for this
Ligand-Target Pair