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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mu-type opioid receptor' and Ligand = 'BDBM50174198'   
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
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50174198
PNG
(CHEMBL372130 | H-Dmt-Tic-NH-(CH2)6-NH-Dmt-H)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)NCCCCCCNC(=O)C1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C
Show InChI InChI=1S/C38H51N5O5/c1-23-15-29(44)16-24(2)31(23)20-33(39)36(46)41-13-9-5-6-10-14-42-37(47)35-19-27-11-7-8-12-28(27)22-43(35)38(48)34(40)21-32-25(3)17-30(45)18-26(32)4/h7-8,11-12,15-18,33-35,44-45H,5-6,9-10,13-14,19-22,39-40H2,1-4H3,(H,41,46)(H,42,47)/t33-,34-,35?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.90E+3n/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Agonistic activity against mu opioid receptor in guinea-pig ileum


Bioorg Med Chem Lett 15: 5517-20 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.073
BindingDB Entry DOI: 10.7270/Q2MK6CFQ
More data for this
Ligand-Target Pair