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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 = 'BDBM50013624'   
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


(GUINEA PIG)
BDBM50013624
PNG
(22-cyclopropylmethyl-7-fluoro-(2S,13R)-14-oxa-11,2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(F)cc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
Show InChI InChI=1S/C26H25FN2O3/c27-15-4-5-18-16(10-15)17-11-26(31)20-9-14-3-6-19(30)23-21(14)25(26,24(32-23)22(17)28-18)7-8-29(20)12-13-1-2-13/h3-6,10,13,20,24,28,30-31H,1-2,7-9,11-12H2/t20?,24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of Opioid receptor mu 1


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(GUINEA PIG)
BDBM50013624
PNG
(22-cyclopropylmethyl-7-fluoro-(2S,13R)-14-oxa-11,2...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1[nH]c2ccc(F)cc2c1C[C@@]35O |TLB:17:18:30:7.13.12,3:4:30:7.13.12|
Show InChI InChI=1S/C26H25FN2O3/c27-15-4-5-18-16(10-15)17-11-26(31)20-9-14-3-6-19(30)23-21(14)25(26,24(32-23)22(17)28-18)7-8-29(20)12-13-1-2-13/h3-6,10,13,20,24,28,30-31H,1-2,7-9,11-12H2/t20?,24-,25-,26+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
1.70n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity was measured by the displacement of [3H]- DAMGO in guinea pig brain membrane of opioid receptor mu


J Med Chem 33: 1714-20 (1990)


BindingDB Entry DOI: 10.7270/Q27P9003
More data for this
Ligand-Target Pair