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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50178764'   
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
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50178764
PNG
(3-(Dmt-Tic-NH-propyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-46-35(5)59-47(50(65)60-46)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]deltorphin-II from delta opioid receptor in rat brain synaptosomal membranes


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(MOUSE)
BDBM50178764
PNG
(3-(Dmt-Tic-NH-propyl)-6-(Dmt-Tic-NH-butyl)-2-(1H)-...)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2CC1C(=O)NCCCCc1[nH]c(=O)c(CCCNC(=O)C2Cc3ccccc3CN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)nc1C
Show InChI InChI=1S/C54H66N8O7/c1-31-21-40(63)22-32(2)42(31)27-44(55)53(68)61-29-38-15-8-6-13-36(38)25-48(61)51(66)57-19-11-10-17-46-35(5)59-47(50(65)60-46)18-12-20-58-52(67)49-26-37-14-7-9-16-39(37)30-62(49)54(69)45(56)28-43-33(3)23-41(64)24-34(43)4/h6-9,13-16,21-24,44-45,48-49,63-64H,10-12,17-20,25-30,55-56H2,1-5H3,(H,57,66)(H,58,67)(H,60,65)/t44-,45-,48?,49?/m0/s1
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PC cid
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UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity at delta opioid receptor in mouse vas deferens


J Med Chem 48: 8035-44 (2005)


Article DOI: 10.1021/jm050377l
BindingDB Entry DOI: 10.7270/Q2C53KD9
More data for this
Ligand-Target Pair