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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'mu/kappa opioid receptor' and Ligand = 'BDBM50009127'   
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/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009127
PNG
(bis(4-cyclopropylmethyl-12-oxa-4-azapentacyclo[9.6...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1sc2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H42N2O6S/c43-25-7-5-21-13-27-39(45)15-23-24-16-40(46)28-14-22-6-8-26(44)32-30(22)38(40,10-12-42(28)18-20-3-4-20)36(48-32)34(24)49-33(23)35-37(39,29(21)31(25)47-35)9-11-41(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,43-46H,1-4,9-18H2/t27?,28?,35-,36-,37-,38-,39+,40+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.40n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured against Opioid receptor kappa 1 on electrically stimulated guinea pig ileal longitudinal muscle myenteric p...


J Med Chem 34: 1292-6 (1991)


Article DOI: 10.1021/jm00108a008
BindingDB Entry DOI: 10.7270/Q2C53MF5
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(GUINEA PIG)
BDBM50009127
PNG
(bis(4-cyclopropylmethyl-12-oxa-4-azapentacyclo[9.6...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)c1sc2[C@@H]4Oc6c7c(CC8N(CC9CC9)CC[C@@]47[C@@]8(O)Cc2c1C[C@@]35O)ccc6O
Show InChI InChI=1S/C40H42N2O6S/c43-25-7-5-21-13-27-39(45)15-23-24-16-40(46)28-14-22-6-8-26(44)32-30(22)38(40,10-12-42(28)18-20-3-4-20)36(48-32)34(24)49-33(23)35-37(39,29(21)31(25)47-35)9-11-41(27)17-19-1-2-19/h5-8,19-20,27-28,35-36,43-46H,1-4,9-18H2/t27?,28?,35-,36-,37-,38-,39+,40+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
189n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Binding affinity of compound was measured against Opioid receptor mu 1 on electrically stimulated guinea pig ileal longitudinal muscle myenteric plex...


J Med Chem 34: 1292-6 (1991)


Article DOI: 10.1021/jm00108a008
BindingDB Entry DOI: 10.7270/Q2C53MF5
More data for this
Ligand-Target Pair