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PubMed code 1851846

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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


(GUINEA PIG)
BDBM50009222
PNG
(4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1
UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.630n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to Opioid receptor mu using [3H]DAMGO as radioligand in guinea pigbrain membrane


Citation and Details
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM50009222
PNG
(4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
0.990n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor delta


Citation and Details
More data for this
Ligand-Target Pair
mu/kappa opioid receptor


(Cavia porcellus (domestic guinea pig))
BDBM50009222
PNG
(4-cyclopropylmethyl-14-(1H-3-indolyl)-(1S,13S,17S)...)
Show SMILES Oc1ccc2CC3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35O)c1c[nH]c2ccccc12
Show InChI InChI=1S/C28H28N2O3/c31-22-8-7-17-13-23-28(32)10-9-19(20-14-29-21-4-2-1-3-18(20)21)26-27(28,24(17)25(22)33-26)11-12-30(23)15-16-5-6-16/h1-4,7-9,14,16,23,26,29,31-32H,5-6,10-13,15H2/t23?,26-,27-,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
6.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity to opioid receptor kappa using [3H]-EK as radioligand in guinea pigbrain membrane


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%