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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM85749'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Homo sapiens (Human))
BDBM85749
PNG
(III-BTD | NOCICEPTIN RECEPTOR ANTAGONIST PEPTIDE I...)
Show SMILES CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@H]1CC[C@@H]2SC[C@H](N2C1=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C40H62ClN13O7S/c1-22(55)49-26(9-5-17-47-39(43)44)34(57)53-30(20-23-7-3-2-4-8-23)36(59)51-28-15-16-32-54(38(28)61)31(21-62-32)37(60)50-27(10-6-18-48-40(45)46)35(58)52-29(33(42)56)19-24-11-13-25(41)14-12-24/h11-14,23,26-32H,2-10,15-21H2,1H3,(H2,42,56)(H,49,55)(H,50,60)(H,51,59)(H,52,58)(H,53,57)(H4,43,44,47)(H4,45,46,48)/t26-,27+,28-,29+,30+,31-,32-/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
60.3n/an/an/an/an/an/an/an/a



Leicester Royal Infirmary

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 363: 28-33 (2001)


Article DOI: 10.1007/s002100000327
BindingDB Entry DOI: 10.7270/Q2TH8K8W
More data for this
Ligand-Target Pair